(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C19H23N5O2 — CID 95849615

IUPAC(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)CC1=O
InChIInChI=1S/C19H23N5O2/c1-23-12-15(10-17(23)25)19(26)21-8-9-24-18(14-2-3-14)16(11-22-24)13-4-6-20-7-5-13/h4-7,11,14-15H,2-3,8-10,12H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyZQAPTPINPURZIJ-OAHLLOKOSA-N
MW353.43 g/mol
LogP1.42
Rot. Bonds6

About (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95849615) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95849615
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)CC1=O
InChIInChI=1S/C19H23N5O2/c1-23-12-15(10-17(23)25)19(26)21-8-9-24-18(14-2-3-14)16(11-22-24)13-4-6-20-7-5-13/h4-7,11,14-15H,2-3,8-10,12H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyZQAPTPINPURZIJ-OAHLLOKOSA-N
XLogP1.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-ethylimidazole-4-carboxamide
CID 92604693
N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 92578321
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 110242829
N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75414529
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135
(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95849615) is (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)CC1=O.
What is the InChIKey of (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZQAPTPINPURZIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-12-15(10-17(23)25)19(26)21-8-9-24-18(14-2-3-14)16(11-22-24)13-4-6-20-7-5-13/h4-7,11,14-15H,2-3,8-10,12H2,1H3,(H,21,26)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).