5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide

C13H16N4O — CID 122171449

IUPAC5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C)c2)cc1N
InChIInChI=1S/C13H16N4O/c1-3-17-12(14)8-11(16-17)13(18)15-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyAAYWIZVQNLEVAX-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds3

About 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide

5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide (PubChem CID 122171449) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
PubChem CID122171449
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C)c2)cc1N
InChIInChI=1S/C13H16N4O/c1-3-17-12(14)8-11(16-17)13(18)15-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyAAYWIZVQNLEVAX-UHFFFAOYSA-N
XLogP2.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 2747070
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide (CID 122171449) is 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2cccc(C)c2)cc1N.
What is the InChIKey of 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is AAYWIZVQNLEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-12(14)8-11(16-17)13(18)15-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).