4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide

C14H18N4O — CID 62081566

IUPAC4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccccc2C(C)C)c1N
InChIInChI=1S/C14H18N4O/c1-8(2)10-6-4-5-7-11(10)16-14(19)13-12(15)9(3)17-18-13/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBBKWIRYRVBTGNU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds3

About 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62081566) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID62081566
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccccc2C(C)C)c1N
InChIInChI=1S/C14H18N4O/c1-8(2)10-6-4-5-7-11(10)16-14(19)13-12(15)9(3)17-18-13/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBBKWIRYRVBTGNU-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
4-amino-N-(2-ethoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077048
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110858040
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
4-amino-5-methyl-N-(1,2-oxazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62902050
5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618760

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide (CID 62081566) is 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccccc2C(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BBKWIRYRVBTGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8(2)10-6-4-5-7-11(10)16-14(19)13-12(15)9(3)17-18-13/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).