4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H20BrN3O — CID 47426517

IUPAC4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C14H20BrN3O/c15-11-12(9-7-8-9)17-18-13(11)14(19)16-10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,16,19)(H,17,18)
InChIKeyXIZKDSCYGHBRRG-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.50
Rot. Bonds3

About 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 47426517) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID47426517
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C14H20BrN3O/c15-11-12(9-7-8-9)17-18-13(11)14(19)16-10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,16,19)(H,17,18)
InChIKeyXIZKDSCYGHBRRG-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 69045216
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119220931
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 47080055
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 62075802
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
CID 4623738
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 47426517) is 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(NC1CCCCCC1)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is XIZKDSCYGHBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-11-12(9-7-8-9)17-18-13(11)14(19)16-10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,16,19)(H,17,18).
What are the key properties of 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47426517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).