1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C15H22N4O2 — CID 91945638

IUPAC1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C15H22N4O2/c1-4-5-16-15(21)12-6-14(20)19(9-12)13-7-17-18(10-13)8-11(2)3/h4,7,10-12H,1,5-6,8-9H2,2-3H3,(H,16,21)
InChIKeyNELNIOWGDGHLMQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.19
Rot. Bonds6

About 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 91945638) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID91945638
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C15H22N4O2/c1-4-5-16-15(21)12-6-14(20)19(9-12)13-7-17-18(10-13)8-11(2)3/h4,7,10-12H,1,5-6,8-9H2,2-3H3,(H,16,21)
InChIKeyNELNIOWGDGHLMQ-UHFFFAOYSA-N
XLogP1.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 97465111
(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97465161
(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465094
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 91945638) is 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1CC(=O)N(c2cnn(CC(C)C)c2)C1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is NELNIOWGDGHLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-5-16-15(21)12-6-14(20)19(9-12)13-7-17-18(10-13)8-11(2)3/h4,7,10-12H,1,5-6,8-9H2,2-3H3,(H,16,21).
What are the key properties of 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91945638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).