3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide

C12H13ClN4O — CID 66482595

IUPAC3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccncc2Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-8(2)17-7-9(5-15-17)16-12(18)10-3-4-14-6-11(10)13/h3-8H,1-2H3,(H,16,18)
InChIKeyCVUXSVPEIZMRDQ-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.76
Rot. Bonds3

About 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide

3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 66482595) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID66482595
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccncc2Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-8(2)17-7-9(5-15-17)16-12(18)10-3-4-14-6-11(10)13/h3-8H,1-2H3,(H,16,18)
InChIKeyCVUXSVPEIZMRDQ-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide (CID 66482595) is 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide is CC(C)n1cc(NC(=O)c2ccncc2Cl)cn1.
What is the InChIKey of 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is CVUXSVPEIZMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8(2)17-7-9(5-15-17)16-12(18)10-3-4-14-6-11(10)13/h3-8H,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide?
3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66482595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).