1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

C15H18BrClN4O — CID 119451537

IUPAC1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNC2)cnn1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c1-10-14(15(21)19-12-6-7-17-8-12)9-18-20(10)13-4-2-11(16)3-5-13;/h2-5,9,12,17H,6-8H2,1H3,(H,19,21);1H
InChIKeyGQPIRZZEAZHGCI-UHFFFAOYSA-N
MW385.69 g/mol
LogP2.46
Rot. Bonds3

About 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119451537) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119451537
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNC2)cnn1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c1-10-14(15(21)19-12-6-7-17-8-12)9-18-20(10)13-4-2-11(16)3-5-13;/h2-5,9,12,17H,6-8H2,1H3,(H,19,21);1H
InChIKeyGQPIRZZEAZHGCI-UHFFFAOYSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119476425
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678653
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119451537) is 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCNC2)cnn1-c1ccc(Br)cc1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is GQPIRZZEAZHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.ClH/c1-10-14(15(21)19-12-6-7-17-8-12)9-18-20(10)13-4-2-11(16)3-5-13;/h2-5,9,12,17H,6-8H2,1H3,(H,19,21);1H.
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 385.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119451537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).