4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide

C13H20BrN3O — CID 19266124

IUPAC4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NC2CCCCCC2)nn1C
InChIInChI=1S/C13H20BrN3O/c1-9-11(14)12(16-17(9)2)13(18)15-10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,18)
InChIKeyJDIPJDQYWFKYCZ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.94
Rot. Bonds2

About 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266124) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266124
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NC2CCCCCC2)nn1C
InChIInChI=1S/C13H20BrN3O/c1-9-11(14)12(16-17(9)2)13(18)15-10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,18)
InChIKeyJDIPJDQYWFKYCZ-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18129488
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CID 4768527
1-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 34056241
1-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]thiourea
CID 51423944
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
3-bromo-N-cyclohexyl-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464062
N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
CID 130636863
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849809
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
N-cyclopentyl-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide (CID 19266124) is 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NC2CCCCCC2)nn1C.
What is the InChIKey of 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JDIPJDQYWFKYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-11(14)12(16-17(9)2)13(18)15-10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).