5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide

C14H16BrN3O — CID 107909041

IUPAC5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H16BrN3O/c15-9-2-1-3-14(19)17-12-6-4-11(5-7-12)13-8-10-16-18-13/h4-8,10H,1-3,9H2,(H,16,18)(H,17,19)
InChIKeyPVUYLPYCMFQRPQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide

5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide (PubChem CID 107909041) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
PubChem CID107909041
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H16BrN3O/c15-9-2-1-3-14(19)17-12-6-4-11(5-7-12)13-8-10-16-18-13/h4-8,10H,1-3,9H2,(H,16,18)(H,17,19)
InChIKeyPVUYLPYCMFQRPQ-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide (CID 107909041) is 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide is O=C(CCCCBr)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The InChIKey is PVUYLPYCMFQRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-9-2-1-3-14(19)17-12-6-4-11(5-7-12)13-8-10-16-18-13/h4-8,10H,1-3,9H2,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide has a molecular weight of 322.21 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 107909041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).