N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide

C11H16BrN3O — CID 114314078

IUPACN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccn[nH]1
InChIInChI=1S/C11H16BrN3O/c12-8-11(5-2-1-3-6-11)14-10(16)9-4-7-13-15-9/h4,7H,1-3,5-6,8H2,(H,13,15)(H,14,16)
InChIKeyOEQLIGVVYWRGBV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.24
Rot. Bonds3

About N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide

N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 114314078) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID114314078
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccn[nH]1
InChIInChI=1S/C11H16BrN3O/c12-8-11(5-2-1-3-6-11)14-10(16)9-4-7-13-15-9/h4,7H,1-3,5-6,8H2,(H,13,15)(H,14,16)
InChIKeyOEQLIGVVYWRGBV-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040994
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[1-(chloromethyl)-3-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 114303998
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 114314078) is N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide is O=C(NC1(CBr)CCCCC1)c1ccn[nH]1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OEQLIGVVYWRGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-8-11(5-2-1-3-6-11)14-10(16)9-4-7-13-15-9/h4,7H,1-3,5-6,8H2,(H,13,15)(H,14,16).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114314078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).