4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide

C14H14BrN3O — CID 75534688

IUPAC4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)c1[nH]ncc1Br
InChIInChI=1S/C14H14BrN3O/c15-12-8-16-18-13(12)14(19)17-11-6-10(7-11)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,16,18)(H,17,19)
InChIKeyOCFVUGVXRGAKIW-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.85
Rot. Bonds3

About 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide

4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide (PubChem CID 75534688) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide
PubChem CID75534688
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)c1[nH]ncc1Br
InChIInChI=1S/C14H14BrN3O/c15-12-8-16-18-13(12)14(19)17-11-6-10(7-11)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,16,18)(H,17,19)
InChIKeyOCFVUGVXRGAKIW-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
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CID 12921227
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
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2-methyl-N-(3-phenylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 138993563
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
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CID 19511346
ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 176969995
4-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135442983
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide (CID 75534688) is 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide is O=C(NC1CC(c2ccccc2)C1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OCFVUGVXRGAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-8-16-18-13(12)14(19)17-11-6-10(7-11)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75534688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).