3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide

C22H28N4O2 — CID 46537628

IUPAC3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21-10-5-2-6-14-25(21)15-7-13-23-22(28)20-16-19(17-11-12-17)24-26(20)18-8-3-1-4-9-18/h1,3-4,8-9,16-17H,2,5-7,10-15H2,(H,23,28)
InChIKeyLCDVZIFFOWEGIO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds7

About 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 46537628) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
PubChem CID46537628
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21-10-5-2-6-14-25(21)15-7-13-23-22(28)20-16-19(17-11-12-17)24-26(20)18-8-3-1-4-9-18/h1,3-4,8-9,16-17H,2,5-7,10-15H2,(H,23,28)
InChIKeyLCDVZIFFOWEGIO-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
tert-butyl 4-[2-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 47049389
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
4-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 46450454
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide (CID 46537628) is 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide is O=C(NCCCN1CCCCCC1=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is LCDVZIFFOWEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21-10-5-2-6-14-25(21)15-7-13-23-22(28)20-16-19(17-11-12-17)24-26(20)18-8-3-1-4-9-18/h1,3-4,8-9,16-17H,2,5-7,10-15H2,(H,23,28).
What are the key properties of 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 46537628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).