N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C12H12BrN3O — CID 110859670

IUPACN-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H12BrN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyHPHKRCMVSCMBRV-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.04
Rot. Bonds2

About N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110859670) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110859670
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H12BrN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyHPHKRCMVSCMBRV-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859079
N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126996863
N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 166816512
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55884672
N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 167887221
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110859670) is N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccc(Br)cc2)c1C.
What is the InChIKey of N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is HPHKRCMVSCMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).