1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C19H22N4O2 — CID 95348934

IUPAC1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCn1cc([C@@H]2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)cn1
InChIInChI=1S/C19H22N4O2/c1-21-13-15(12-20-21)17-7-3-10-23(17)19(25)14-5-2-6-16(11-14)22-9-4-8-18(22)24/h2,5-6,11-13,17H,3-4,7-10H2,1H3/t17-/m0/s1
InChIKeyDYRTWZKGIJCAKO-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.52
Rot. Bonds3

About 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 95348934) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID95348934
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCn1cc([C@@H]2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)cn1
InChIInChI=1S/C19H22N4O2/c1-21-13-15(12-20-21)17-7-3-10-23(17)19(25)14-5-2-6-16(11-14)22-9-4-8-18(22)24/h2,5-6,11-13,17H,3-4,7-10H2,1H3/t17-/m0/s1
InChIKeyDYRTWZKGIJCAKO-KRWDZBQOSA-N
XLogP2.52
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 120730632
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308670
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
CID 175657009

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 95348934) is 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is Cn1cc([C@@H]2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)cn1.
What is the InChIKey of 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is DYRTWZKGIJCAKO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21-13-15(12-20-21)17-7-3-10-23(17)19(25)14-5-2-6-16(11-14)22-9-4-8-18(22)24/h2,5-6,11-13,17H,3-4,7-10H2,1H3/t17-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 95348934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).