N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H16N4O — CID 64882712

IUPACN-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H16N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-3-5-10(11)7-14/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQZPKKCOCHYRPMQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.74
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 64882712) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID64882712
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H16N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-3-5-10(11)7-14/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQZPKKCOCHYRPMQ-UHFFFAOYSA-N
XLogP1.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 61258324
N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113352500
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102
3,5-dimethyl-N-[2-(4-prop-1-ynylphenyl)phenyl]-1H-pyrazole-4-carboxamide
CID 141430561
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881484
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 64882712) is N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is QZPKKCOCHYRPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-3-5-10(11)7-14/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64882712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).