5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide

C19H27N5O3 — CID 59173863

IUPAC5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCC(=O)N1CCCN(CCCCC(=O)Nc2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C19H27N5O3/c1-15(25)24-10-5-9-23(11-12-24)8-3-2-7-19(26)20-18-14-16(21-22-18)17-6-4-13-27-17/h4,6,13-14H,2-3,5,7-12H2,1H3,(H2,20,21,22,26)
InChIKeyMTFZNPUJGSQSSA-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.33
Rot. Bonds7

About 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide

5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 59173863) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
PubChem CID59173863
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCC(=O)N1CCCN(CCCCC(=O)Nc2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C19H27N5O3/c1-15(25)24-10-5-9-23(11-12-24)8-3-2-7-19(26)20-18-14-16(21-22-18)17-6-4-13-27-17/h4,6,13-14H,2-3,5,7-12H2,1H3,(H2,20,21,22,26)
InChIKeyMTFZNPUJGSQSSA-UHFFFAOYSA-N
XLogP2.33
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59173992
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
CID 59840403
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 24998675
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 86985248
N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173977

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide (CID 59173863) is 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide is CC(=O)N1CCCN(CCCCC(=O)Nc2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
The InChIKey is MTFZNPUJGSQSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-15(25)24-10-5-9-23(11-12-24)8-3-2-7-19(26)20-18-14-16(21-22-18)17-6-4-13-27-17/h4,6,13-14H,2-3,5,7-12H2,1H3,(H2,20,21,22,26).
What are the key properties of 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 373.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 59173863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).