N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide

C15H16BrN3O — CID 80661828

IUPACN-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCCC1Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16BrN3O/c16-13-7-4-8-14(13)18-15(20)11-9-17-19(10-11)12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8H2,(H,18,20)
InChIKeyZESALJVAFZKZKZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide

N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 80661828) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
PubChem CID80661828
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCCC1Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16BrN3O/c16-13-7-4-8-14(13)18-15(20)11-9-17-19(10-11)12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8H2,(H,18,20)
InChIKeyZESALJVAFZKZKZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
CID 74244794
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 146124166
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 24647526
2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 43340159

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide (CID 80661828) is N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide is O=C(NC1CCCC1Br)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZESALJVAFZKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-7-4-8-14(13)18-15(20)11-9-17-19(10-11)12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8H2,(H,18,20).
What are the key properties of N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide?
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 80661828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).