5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

C17H23ClN4O2 — CID 162671780

IUPAC5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C17H23ClN4O2/c1-16(2,3)13-8-12(15(24)20-17(4,5)10-23)21-22(13)14-7-6-11(18)9-19-14/h6-9,23H,10H2,1-5H3,(H,20,24)
InChIKeyYHJMLBXVPBRZTF-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.72
Rot. Bonds4

About 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 162671780) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID162671780
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C17H23ClN4O2/c1-16(2,3)13-8-12(15(24)20-17(4,5)10-23)21-22(13)14-7-6-11(18)9-19-14/h6-9,23H,10H2,1-5H3,(H,20,24)
InChIKeyYHJMLBXVPBRZTF-UHFFFAOYSA-N
XLogP2.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (CID 162671780) is 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is YHJMLBXVPBRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-16(2,3)13-8-12(15(24)20-17(4,5)10-23)21-22(13)14-7-6-11(18)9-19-14/h6-9,23H,10H2,1-5H3,(H,20,24).
What are the key properties of 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162671780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).