5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide

C15H18ClN3O — CID 60933639

IUPAC5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18ClN3O/c16-9-2-1-4-15(20)18-14-7-5-13(6-8-14)12-19-11-3-10-17-19/h3,5-8,10-11H,1-2,4,9,12H2,(H,18,20)
InChIKeyKMUSQAYOGYIWPF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.28
Rot. Bonds7

About 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide

5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 60933639) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
PubChem CID60933639
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18ClN3O/c16-9-2-1-4-15(20)18-14-7-5-13(6-8-14)12-19-11-3-10-17-19/h3,5-8,10-11H,1-2,4,9,12H2,(H,18,20)
InChIKeyKMUSQAYOGYIWPF-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 166417680
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47048907
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide (CID 60933639) is 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide is O=C(CCCCCl)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is KMUSQAYOGYIWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-9-2-1-4-15(20)18-14-7-5-13(6-8-14)12-19-11-3-10-17-19/h3,5-8,10-11H,1-2,4,9,12H2,(H,18,20).
What are the key properties of 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 291.78 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 60933639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).