N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide

C16H19BrN4O — CID 119475387

IUPACN-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
SMILESNC1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1
InChIInChI=1S/C16H19BrN4O/c17-12-2-1-3-15(8-12)21-10-11(9-19-21)16(22)20-14-6-4-13(18)5-7-14/h1-3,8-10,13-14H,4-7,18H2,(H,20,22)
InChIKeyZQDIXSMPCYCHJT-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.63
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide

N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide (PubChem CID 119475387) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
PubChem CID119475387
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
SMILESNC1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1
InChIInChI=1S/C16H19BrN4O/c17-12-2-1-3-15(8-12)21-10-11(9-19-21)16(22)20-14-6-4-13(18)5-7-14/h1-3,8-10,13-14H,4-7,18H2,(H,20,22)
InChIKeyZQDIXSMPCYCHJT-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47242136
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N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
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1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
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N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide (CID 119475387) is N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide is NC1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide?
The InChIKey is ZQDIXSMPCYCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c17-12-2-1-3-15(8-12)21-10-11(9-19-21)16(22)20-14-6-4-13(18)5-7-14/h1-3,8-10,13-14H,4-7,18H2,(H,20,22).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide?
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119475387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).