N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide

C13H14N4O2 — CID 60786152

IUPACN-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C13H14N4O2/c1-17(2)13(19)9-4-3-5-11(6-9)16-12(18)10-7-14-15-8-10/h3-8H,1-2H3,(H,14,15)(H,16,18)
InChIKeyTZOOCTFJOOAGSW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.36
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60786152) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID60786152
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C13H14N4O2/c1-17(2)13(19)9-4-3-5-11(6-9)16-12(18)10-7-14-15-8-10/h3-8H,1-2H3,(H,14,15)(H,16,18)
InChIKeyTZOOCTFJOOAGSW-UHFFFAOYSA-N
XLogP1.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 61110887
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
6-chloro-N-[3-(dimethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 61041368
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide (CID 60786152) is N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is TZOOCTFJOOAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(2)13(19)9-4-3-5-11(6-9)16-12(18)10-7-14-15-8-10/h3-8H,1-2H3,(H,14,15)(H,16,18).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60786152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).