N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide

C12H12N4O2 — CID 6466922

IUPACN-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H12N4O2/c1-16-10(6-7-14-16)12(18)15-9-4-2-8(3-5-9)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyZFUWTFPSGNMKKW-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.77
Rot. Bonds3

About N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide

N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 6466922) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID6466922
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H12N4O2/c1-16-10(6-7-14-16)12(18)15-9-4-2-8(3-5-9)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyZFUWTFPSGNMKKW-UHFFFAOYSA-N
XLogP0.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 3468534
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 6114072
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide (CID 6466922) is N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is ZFUWTFPSGNMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-10(6-7-14-16)12(18)15-9-4-2-8(3-5-9)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18).
What are the key properties of N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).