N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

C12H13N3O — CID 47233638

IUPACN-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)8-13-12(16)11-6-7-14-15-11/h2-7H,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyMAAASYGMFNQIRB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47233638) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID47233638
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)8-13-12(16)11-6-7-14-15-11/h2-7H,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyMAAASYGMFNQIRB-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 130942246
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738
N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 60967720
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75518713
3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 47233638) is N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is Cc1ccccc1CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MAAASYGMFNQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)8-13-12(16)11-6-7-14-15-11/h2-7H,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47233638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).