5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide

C18H18ClN5O2 — CID 69477331

IUPAC5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C18H18ClN5O2/c1-18(2,26)11-22-17(25)15-8-16(14-6-5-12(19)9-21-14)24(23-15)13-4-3-7-20-10-13/h3-10,26H,11H2,1-2H3,(H,22,25)
InChIKeyCJWPFHSJAOPKDI-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.48
Rot. Bonds5

About 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide

5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 69477331) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID69477331
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C18H18ClN5O2/c1-18(2,26)11-22-17(25)15-8-16(14-6-5-12(19)9-21-14)24(23-15)13-4-3-7-20-10-13/h3-10,26H,11H2,1-2H3,(H,22,25)
InChIKeyCJWPFHSJAOPKDI-UHFFFAOYSA-N
XLogP2.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide (CID 69477331) is 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide is CC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1.
What is the InChIKey of 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is CJWPFHSJAOPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-18(2,26)11-22-17(25)15-8-16(14-6-5-12(19)9-21-14)24(23-15)13-4-3-7-20-10-13/h3-10,26H,11H2,1-2H3,(H,22,25).
What are the key properties of 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 69477331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).