4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C14H15N5O — CID 66124198

IUPAC4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H15N5O/c1-8-4-5-10(7-15)6-11(8)17-14(20)13-12(16)9(2)18-19(13)3/h4-6H,16H2,1-3H3,(H,17,20)
InChIKeyBVPASMMLLAPBNP-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.74
Rot. Bonds2

About 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66124198) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66124198
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H15N5O/c1-8-4-5-10(7-15)6-11(8)17-14(20)13-12(16)9(2)18-19(13)3/h4-6H,16H2,1-3H3,(H,17,20)
InChIKeyBVPASMMLLAPBNP-UHFFFAOYSA-N
XLogP1.74
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 82014018
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 115375824
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125175
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66124198) is 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is BVPASMMLLAPBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-4-5-10(7-15)6-11(8)17-14(20)13-12(16)9(2)18-19(13)3/h4-6H,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).