3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide

C18H22ClN5O2 — CID 123731564

IUPAC3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(NC(C)=O)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H22ClN5O2/c1-3-23(18(26)13-6-7-14(9-13)21-12(2)25)16-11-24(22-17(16)19)15-5-4-8-20-10-15/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3,(H,21,25)
InChIKeySULWKGWQNOUWDP-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.58
Rot. Bonds5

About 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide

3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide (PubChem CID 123731564) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
PubChem CID123731564
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(NC(C)=O)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H22ClN5O2/c1-3-23(18(26)13-6-7-14(9-13)21-12(2)25)16-11-24(22-17(16)19)15-5-4-8-20-10-15/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3,(H,21,25)
InChIKeySULWKGWQNOUWDP-UHFFFAOYSA-N
XLogP2.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
CID 118450561
2-cyclopentyl-N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71807808
2-cyclopentyl-N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}acetamide
CID 71807901
2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 72141557
2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72141561
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118450482
1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)-L-prolinamide
CID 118450490
(2S)-1-[1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]piperidine-4-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 118450564
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3-methyloxetan-3-yl)methyl]piperidine-4-carboxamide
CID 118450601
1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)-D-prolinamide
CID 118450613
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 118450658

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide?
The IUPAC name of 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide (CID 123731564) is 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide is CCN(C(=O)C1CCC(NC(C)=O)C1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide?
The InChIKey is SULWKGWQNOUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-3-23(18(26)13-6-7-14(9-13)21-12(2)25)16-11-24(22-17(16)19)15-5-4-8-20-10-15/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3,(H,21,25).
What are the key properties of 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide?
3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 123731564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).