1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

C18H22N4O2 — CID 18157170

IUPAC1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H22N4O2/c23-17(21-10-4-5-11-21)8-9-19-18(24)16-12-20-22(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,19,24)
InChIKeySAEUAMYIZDSNAM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds6

About 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (PubChem CID 18157170) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
PubChem CID18157170
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H22N4O2/c23-17(21-10-4-5-11-21)8-9-19-18(24)16-12-20-22(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,19,24)
InChIKeySAEUAMYIZDSNAM-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxamide
CID 47031666
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482886
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (CID 18157170) is 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is O=C(NCCC(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is SAEUAMYIZDSNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(21-10-4-5-11-21)8-9-19-18(24)16-12-20-22(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,19,24).
What are the key properties of 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18157170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).