N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C17H19Cl2N5O2 — CID 108756145

IUPACN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(C(C)C)C2)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C17H19Cl2N5O2/c1-9(2)23-8-11(5-15(23)25)17(26)21-14-4-10(3)22-24(14)16-13(19)6-12(18)7-20-16/h4,6-7,9,11H,5,8H2,1-3H3,(H,21,26)
InChIKeyGZBXZNCTNMGPDC-UHFFFAOYSA-N
MW396.28 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108756145) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108756145
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(C(C)C)C2)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C17H19Cl2N5O2/c1-9(2)23-8-11(5-15(23)25)17(26)21-14-4-10(3)22-24(14)16-13(19)6-12(18)7-20-16/h4,6-7,9,11H,5,8H2,1-3H3,(H,21,26)
InChIKeyGZBXZNCTNMGPDC-UHFFFAOYSA-N
XLogP3.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
CID 108756176
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 108732661
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 108756112
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
1-cyclopropyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 138996070
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44907682

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108756145) is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(C(C)C)C2)n(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GZBXZNCTNMGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c1-9(2)23-8-11(5-15(23)25)17(26)21-14-4-10(3)22-24(14)16-13(19)6-12(18)7-20-16/h4,6-7,9,11H,5,8H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 396.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108756145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).