(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone

C13H15N3O2 — CID 14626658

IUPAC(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C13H15N3O2/c1-8-11(13(14)16(2)15-8)12(17)9-6-4-5-7-10(9)18-3/h4-7H,14H2,1-3H3
InChIKeyLAVYTFPXVKVEDZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds3

About (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone

(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone (PubChem CID 14626658) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone
PubChem CID14626658
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C13H15N3O2/c1-8-11(13(14)16(2)15-8)12(17)9-6-4-5-7-10(9)18-3/h4-7H,14H2,1-3H3
InChIKeyLAVYTFPXVKVEDZ-UHFFFAOYSA-N
XLogP1.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Amino-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanone
CID 44278953
(5-Amino-3-methyl-1-propylpyrazol-4-yl)-(2-methoxyphenyl)methanone
CID 44279500
2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 49176300
3-amino-7-(4-methoxyphenyl)-1,6-dimethyl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 136207970
5-Amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129268491
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxybenzamide
CID 21105225
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methoxybenzamide
CID 134797185
5-Amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129247956
5-Amino-1-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-3-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124115950
5-Amino-3-(2,2,2-trifluoroethyl)-1-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazole-4-carboxamide
CID 124117006
5-Amino-3-methyl-1-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazole-4-carboxamide
CID 124117024
5-Amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 129248027

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone (CID 14626658) is (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1c(C)nn(C)c1N.
What is the InChIKey of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone?
The InChIKey is LAVYTFPXVKVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-11(13(14)16(2)15-8)12(17)9-6-4-5-7-10(9)18-3/h4-7H,14H2,1-3H3.
What are the key properties of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone?
(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 14626658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).