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

C18H22N4O2 — CID 97465111

IUPAC(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cn1
InChIInChI=1S/C18H22N4O2/c1-13(2)10-21-12-16(9-19-21)22-11-14(8-17(22)23)18(24)20-15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAHCWZVRGXFFSDJ-AWEZNQCLSA-N
MW326.40 g/mol
LogP2.53
Rot. Bonds5

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

(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 97465111) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID97465111
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cn1
InChIInChI=1S/C18H22N4O2/c1-13(2)10-21-12-16(9-19-21)22-11-14(8-17(22)23)18(24)20-15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAHCWZVRGXFFSDJ-AWEZNQCLSA-N
XLogP2.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97465161
(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71830396
(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97416313
(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465094
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3R)-N-benzyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97465084
2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 9004431

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 97465111) is (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is CC(C)Cn1cc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cn1.
What is the InChIKey of (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is AHCWZVRGXFFSDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)10-21-12-16(9-19-21)22-11-14(8-17(22)23)18(24)20-15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97465111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).