(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C15H24N4O2 — CID 95213565

IUPAC(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyHXLTYTWDXMMECT-CYBMUJFWSA-N
MW292.38 g/mol
LogP0.92
Rot. Bonds6

About (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 95213565) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID95213565
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyHXLTYTWDXMMECT-CYBMUJFWSA-N
XLogP0.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 95213565) is (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O.
What is the InChIKey of (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HXLTYTWDXMMECT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95213565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).