3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide

C17H28ClN5O — CID 167779567

IUPAC3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCC(n3cc(Cl)cn3)C2)CC(C)(C)N1
InChIInChI=1S/C17H28ClN5O/c1-16(2)7-13(8-17(3,4)21-16)20-15(24)22-6-5-14(11-22)23-10-12(18)9-19-23/h9-10,13-14,21H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyNKLVFHXZPUVHSW-UHFFFAOYSA-N
MW353.90 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide

3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 167779567) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID167779567
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCC(n3cc(Cl)cn3)C2)CC(C)(C)N1
InChIInChI=1S/C17H28ClN5O/c1-16(2)7-13(8-17(3,4)21-16)20-15(24)22-6-5-14(11-22)23-10-12(18)9-19-23/h9-10,13-14,21H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyNKLVFHXZPUVHSW-UHFFFAOYSA-N
XLogP2.80
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
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CID 29096511
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4-(propylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86984564
2-(benzimidazol-1-yl)-1-[3-(4-chloropyrazol-1-yl)pyrrolidin-1-yl]ethanone
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N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
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N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 167779567) is 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide is CC1(C)CC(NC(=O)N2CCC(n3cc(Cl)cn3)C2)CC(C)(C)N1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NKLVFHXZPUVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5O/c1-16(2)7-13(8-17(3,4)21-16)20-15(24)22-6-5-14(11-22)23-10-12(18)9-19-23/h9-10,13-14,21H,5-8,11H2,1-4H3,(H,20,24).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 353.90 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167779567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).