N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

C17H21BrN4O — CID 119476425

IUPACN-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN4O/c1-11-16(17(23)21-14-6-4-13(19)5-7-14)10-20-22(11)15-8-2-12(18)3-9-15/h2-3,8-10,13-14H,4-7,19H2,1H3,(H,21,23)
InChIKeyKGCDSTINENXBKG-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.94
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 119476425) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID119476425
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN4O/c1-11-16(17(23)21-14-6-4-13(19)5-7-14)10-20-22(11)15-8-2-12(18)3-9-15/h2-3,8-10,13-14H,4-7,19H2,1H3,(H,21,23)
InChIKeyKGCDSTINENXBKG-UHFFFAOYSA-N
XLogP2.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678653
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
tert-butyl 4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731132
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
CID 97066451

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (CID 119476425) is N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCC(N)CC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is KGCDSTINENXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-11-16(17(23)21-14-6-4-13(19)5-7-14)10-20-22(11)15-8-2-12(18)3-9-15/h2-3,8-10,13-14H,4-7,19H2,1H3,(H,21,23).
What are the key properties of N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 2.94, 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-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119476425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).