(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

C19H27N5O — CID 29029169

IUPAC(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCCn1nc(C)c(-c2cnc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]2)c1C
InChIInChI=1S/C19H27N5O/c1-4-24-13(3)18(12(2)22-24)16-10-20-19(21-16)14-9-17(25)23(11-14)15-7-5-6-8-15/h10,14-15H,4-9,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyOBYLXENSSTUIFF-AWEZNQCLSA-N
MW341.46 g/mol
LogP3.17
Rot. Bonds4

About (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 29029169) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID29029169
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCCn1nc(C)c(-c2cnc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]2)c1C
InChIInChI=1S/C19H27N5O/c1-4-24-13(3)18(12(2)22-24)16-10-20-19(21-16)14-9-17(25)23(11-14)15-7-5-6-8-15/h10,14-15H,4-9,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyOBYLXENSSTUIFF-AWEZNQCLSA-N
XLogP3.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 29029169) is (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is CCn1nc(C)c(-c2cnc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]2)c1C.
What is the InChIKey of (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is OBYLXENSSTUIFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-24-13(3)18(12(2)22-24)16-10-20-19(21-16)14-9-17(25)23(11-14)15-7-5-6-8-15/h10,14-15H,4-9,11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 29029169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).