1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide

C16H22N4O — CID 64780215

IUPAC1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(CNCC(C)C)ccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C16H22N4O/c1-11(2)9-18-10-13-4-5-15(12(3)8-13)20-7-6-14(19-20)16(17)21/h4-8,11,18H,9-10H2,1-3H3,(H2,17,21)
InChIKeyWROXTWNDGACGFN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide

1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 64780215) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID64780215
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(CNCC(C)C)ccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C16H22N4O/c1-11(2)9-18-10-13-4-5-15(12(3)8-13)20-7-6-14(19-20)16(17)21/h4-8,11,18H,9-10H2,1-3H3,(H2,17,21)
InChIKeyWROXTWNDGACGFN-UHFFFAOYSA-N
XLogP2.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide (CID 64780215) is 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide is Cc1cc(CNCC(C)C)ccc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is WROXTWNDGACGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)9-18-10-13-4-5-15(12(3)8-13)20-7-6-14(19-20)16(17)21/h4-8,11,18H,9-10H2,1-3H3,(H2,17,21).
What are the key properties of 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64780215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).