N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide

C19H21ClN6O2 — CID 118032698

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(CCC#N)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClN6O2/c1-2-25(16-12-26(23-18(16)20)15-6-4-9-22-11-15)17(27)13-24-10-7-14(19(24)28)5-3-8-21/h4,6,9,11-12,14H,2-3,5,7,10,13H2,1H3
InChIKeyWJDPSMHVHTUYFY-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.43
Rot. Bonds7

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide (PubChem CID 118032698) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
PubChem CID118032698
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(CCC#N)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClN6O2/c1-2-25(16-12-26(23-18(16)20)15-6-4-9-22-11-15)17(27)13-24-10-7-14(19(24)28)5-3-8-21/h4,6,9,11-12,14H,2-3,5,7,10,13H2,1H3
InChIKeyWJDPSMHVHTUYFY-UHFFFAOYSA-N
XLogP2.43
TPSA95.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[1-(2-cyanoethyl)-2-oxopyrrolidin-3-yl]-N-ethylacetamide
CID 118032699
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
CID 118023439
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 118023676
4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
CID 118023582
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]acetamide
CID 118032664
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
CID 90307188
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide
CID 118032665
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
CID 123731564
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide (CID 118032698) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide is CCN(C(=O)CN1CCC(CCC#N)C1=O)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide?
The InChIKey is WJDPSMHVHTUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-2-25(16-12-26(23-18(16)20)15-6-4-9-22-11-15)17(27)13-24-10-7-14(19(24)28)5-3-8-21/h4,6,9,11-12,14H,2-3,5,7,10,13H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide has a molecular weight of 400.87 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 118032698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).