3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide

C19H22BrN3O — CID 69045216

IUPAC3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(-c2ccc(Br)cc2)n[nH]c1C1CC1
InChIInChI=1S/C19H22BrN3O/c20-14-10-8-13(9-11-14)18-16(17(22-23-18)12-6-7-12)19(24)21-15-4-2-1-3-5-15/h8-12,15H,1-7H2,(H,21,24)(H,22,23)
InChIKeyOXYZQZNNPLLVPI-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.78
Rot. Bonds4

About 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide

3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 69045216) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID69045216
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(-c2ccc(Br)cc2)n[nH]c1C1CC1
InChIInChI=1S/C19H22BrN3O/c20-14-10-8-13(9-11-14)18-16(17(22-23-18)12-6-7-12)19(24)21-15-4-2-1-3-5-15/h8-12,15H,1-7H2,(H,21,24)(H,22,23)
InChIKeyOXYZQZNNPLLVPI-UHFFFAOYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522786
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287873

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide (CID 69045216) is 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide is O=C(NC1CCCCC1)c1c(-c2ccc(Br)cc2)n[nH]c1C1CC1.
What is the InChIKey of 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is OXYZQZNNPLLVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-14-10-8-13(9-11-14)18-16(17(22-23-18)12-6-7-12)19(24)21-15-4-2-1-3-5-15/h8-12,15H,1-7H2,(H,21,24)(H,22,23).
What are the key properties of 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide?
3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 69045216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).