4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

C13H16N4O — CID 3061963

IUPAC4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-8-3-5-10(6-4-8)7-15-13(18)12-11(14)9(2)16-17-12/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUFIFAKNZBLMBME-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 3061963) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID3061963
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-8-3-5-10(6-4-8)7-15-13(18)12-11(14)9(2)16-17-12/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUFIFAKNZBLMBME-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 3061963) is 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c(C)c2N)cc1.
What is the InChIKey of 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UFIFAKNZBLMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-3-5-10(6-4-8)7-15-13(18)12-11(14)9(2)16-17-12/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.54, 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-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3061963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).