(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C17H24N4O2 — CID 95336852

IUPAC(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)cn1
InChIInChI=1S/C17H24N4O2/c1-19-10-14(8-18-19)15-3-2-6-21(15)17(23)13-7-16(22)20(11-13)9-12-4-5-12/h8,10,12-13,15H,2-7,9,11H2,1H3/t13-,15+/m0/s1
InChIKeyVZAPZMRFZCPNND-DZGCQCFKSA-N
MW316.41 g/mol
LogP1.34
Rot. Bonds4

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

(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95336852) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95336852
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)cn1
InChIInChI=1S/C17H24N4O2/c1-19-10-14(8-18-19)15-3-2-6-21(15)17(23)13-7-16(22)20(11-13)9-12-4-5-12/h8,10,12-13,15H,2-7,9,11H2,1H3/t13-,15+/m0/s1
InChIKeyVZAPZMRFZCPNND-DZGCQCFKSA-N
XLogP1.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95346391
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95603206
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95779318
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 95336852) is (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)cn1.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VZAPZMRFZCPNND-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-10-14(8-18-19)15-3-2-6-21(15)17(23)13-7-16(22)20(11-13)9-12-4-5-12/h8,10,12-13,15H,2-7,9,11H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).