5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide

C20H27FN4O — CID 24998041

IUPAC5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCN1CCCCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H27FN4O/c21-17-10-8-16(9-11-17)18-15-19(24-23-18)22-20(26)7-3-6-14-25-12-4-1-2-5-13-25/h8-11,15H,1-7,12-14H2,(H2,22,23,24,26)
InChIKeyYDVCTRGWPAUXED-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.20
Rot. Bonds7

About 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide

5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 24998041) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide
PubChem CID24998041
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCN1CCCCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H27FN4O/c21-17-10-8-16(9-11-17)18-15-19(24-23-18)22-20(26)7-3-6-14-25-12-4-1-2-5-13-25/h8-11,15H,1-7,12-14H2,(H2,22,23,24,26)
InChIKeyYDVCTRGWPAUXED-UHFFFAOYSA-N
XLogP4.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539564
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 5330946
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330970

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide (CID 24998041) is 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide is O=C(CCCCN1CCCCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide?
The InChIKey is YDVCTRGWPAUXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c21-17-10-8-16(9-11-17)18-15-19(24-23-18)22-20(26)7-3-6-14-25-12-4-1-2-5-13-25/h8-11,15H,1-7,12-14H2,(H2,22,23,24,26).
What are the key properties of 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide?
5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 358.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 24998041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).