5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide

C15H18ClN3O — CID 43347095

IUPAC5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
SMILESO=C(CCCCCl)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18ClN3O/c16-9-5-4-8-15(20)17-10-13-11-18-19(12-13)14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,17,20)
InChIKeyKABDRTDGAKVTGB-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.90
Rot. Bonds7

About 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide

5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide (PubChem CID 43347095) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
PubChem CID43347095
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
SMILESO=C(CCCCCl)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H18ClN3O/c16-9-5-4-8-15(20)17-10-13-11-18-19(12-13)14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,17,20)
InChIKeyKABDRTDGAKVTGB-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134035986
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47065544
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide (CID 43347095) is 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide is O=C(CCCCCl)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is KABDRTDGAKVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-9-5-4-8-15(20)17-10-13-11-18-19(12-13)14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,17,20).
What are the key properties of 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide?
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 291.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 43347095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).