3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine

C72H79BrN12O10 — CID 158218830

IUPAC3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine
SMILESCC(=O)C(N=O)=C(C)O.CC(=O)CC(C)=O.CC(=O)c1ccncc1Cc1c(C)nn(-c2ccccc2)c1C.COC(=O)c1ccncc1Br.Cc1nn(-c2ccccc2)c(C)c1Cc1cnccc1C(=O)O.Cc1nn(-c2ccccc2)c(C)c1N.NCc1ccccc1
InChIInChI=1S/C19H19N3O.C18H17N3O2.C11H13N3.C7H6BrNO2.C7H9N.C5H7NO3.C5H8O2/c1-13-19(11-16-12-20-10-9-18(16)15(3)23)14(2)22(21-13)17-7-5-4-6-8-17;1-12-17(10-14-11-19-9-8-16(14)18(22)23)13(2)21(20-12)15-6-4-3-5-7-15;1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10;1-11-7(10)5-2-3-9-4-6(5)8;8-6-7-4-2-1-3-5-7;1-3(7)5(6-9)4(2)8;1-4(6)3-5(2)7/h4-10,12H,11H2,1-3H3;3-9,11H,10H2,1-2H3,(H,22,23);3-7H,12H2,1-2H3;2-4H,1H3;1-5H,6,8H2;7H,1-2H3;3H2,1-2H3
InChIKeyVEUQIMFXFQEGGV-UHFFFAOYSA-N
MW1352.40 g/mol
LogP13.38
Rot. Bonds15

About 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine

3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine (PubChem CID 158218830) has the molecular formula C72H79BrN12O10 and a molecular weight of 1352.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine.

Molecular Properties

Compound Name3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine
PubChem CID158218830
Molecular FormulaC72H79BrN12O10
Molecular Weight1352.40 g/mol
Exact Mass1350.52
IUPAC Name3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine
SMILESCC(=O)C(N=O)=C(C)O.CC(=O)CC(C)=O.CC(=O)c1ccncc1Cc1c(C)nn(-c2ccccc2)c1C.COC(=O)c1ccncc1Br.Cc1nn(-c2ccccc2)c(C)c1Cc1cnccc1C(=O)O.Cc1nn(-c2ccccc2)c(C)c1N.NCc1ccccc1
InChIInChI=1S/C19H19N3O.C18H17N3O2.C11H13N3.C7H6BrNO2.C7H9N.C5H7NO3.C5H8O2/c1-13-19(11-16-12-20-10-9-18(16)15(3)23)14(2)22(21-13)17-7-5-4-6-8-17;1-12-17(10-14-11-19-9-8-16(14)18(22)23)13(2)21(20-12)15-6-4-3-5-7-15;1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10;1-11-7(10)5-2-3-9-4-6(5)8;8-6-7-4-2-1-3-5-7;1-3(7)5(6-9)4(2)8;1-4(6)3-5(2)7/h4-10,12H,11H2,1-3H3;3-9,11H,10H2,1-2H3,(H,22,23);3-7H,12H2,1-2H3;2-4H,1H3;1-5H,6,8H2;7H,1-2H3;3H2,1-2H3
InChIKeyVEUQIMFXFQEGGV-UHFFFAOYSA-N
XLogP13.38
TPSA325.71 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001352.40
LogP ≤ 513.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine with MolForge

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Related Compounds

methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylate;1-methyl-3-phenylpyrazol-5-amine;3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
CID 159486109
methyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760298
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
CID 104777827
azane;1,3-diphenylpyrazol-5-amine;3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;toluene
CID 159651958
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82714639
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286
CID 89224809
CID 89224809
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine?
The IUPAC name of 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine (CID 158218830) is 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine.
What is the SMILES notation for 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine?
The canonical SMILES for 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine is CC(=O)C(N=O)=C(C)O.CC(=O)CC(C)=O.CC(=O)c1ccncc1Cc1c(C)nn(-c2ccccc2)c1C.COC(=O)c1ccncc1Br.Cc1nn(-c2ccccc2)c(C)c1Cc1cnccc1C(=O)O.Cc1nn(-c2ccccc2)c(C)c1N.NCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine?
The InChIKey is VEUQIMFXFQEGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C18H17N3O2.C11H13N3.C7H6BrNO2.C7H9N.C5H7NO3.C5H8O2/c1-13-19(11-16-12-20-10-9-18(16)15(3)23)14(2)22(21-13)17-7-5-4-6-8-17;1-12-17(10-14-11-19-9-8-16(14)18(22)23)13(2)21(20-12)15-6-4-3-5-7-15;1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10;1-11-7(10)5-2-3-9-4-6(5)8;8-6-7-4-2-1-3-5-7;1-3(7)5(6-9)4(2)8;1-4(6)3-5(2)7/h4-10,12H,11H2,1-3H3;3-9,11H,10H2,1-2H3,(H,22,23);3-7H,12H2,1-2H3;2-4H,1H3;1-5H,6,8H2;7H,1-2H3;3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine?
3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine has a molecular weight of 1352.40 g/mol, XLogP of 13.38, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenylpyrazol-4-amine;3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-pyridinyl]ethanone;4-hydroxy-3-nitrosopent-3-en-2-one;methyl 3-bromopyridine-4-carboxylate;pentane-2,4-dione;phenylmethanamine is sourced from PubChem (CID 158218830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).