N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide

C21H21ClN6O2 — CID 118024041

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2cccnc2)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C21H21ClN6O2/c1-2-27(18-14-28(25-19(18)22)17-6-4-9-24-12-17)21(30)16-7-10-26(13-16)20(29)15-5-3-8-23-11-15/h3-6,8-9,11-12,14,16H,2,7,10,13H2,1H3
InChIKeyFQWSRPPCESFNQU-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.83
Rot. Bonds5

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 118024041) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID118024041
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2cccnc2)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C21H21ClN6O2/c1-2-27(18-14-28(25-19(18)22)17-6-4-9-24-12-17)21(30)16-7-10-26(13-16)20(29)15-5-3-8-23-11-15/h3-6,8-9,11-12,14,16H,2,7,10,13H2,1H3
InChIKeyFQWSRPPCESFNQU-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide (CID 118024041) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide is CCN(C(=O)C1CCN(C(=O)c2cccnc2)C1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is FQWSRPPCESFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-2-27(18-14-28(25-19(18)22)17-6-4-9-24-12-17)21(30)16-7-10-26(13-16)20(29)15-5-3-8-23-11-15/h3-6,8-9,11-12,14,16H,2,7,10,13H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 2.83, 5 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)-N-ethyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118024041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).