3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C9H8N4O — CID 25106803

IUPAC3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H8N4O/c10-9(14)8-5-7(12-13-8)6-1-3-11-4-2-6/h1-5H,(H2,10,14)(H,12,13)
InChIKeyZGZCJIUBDHQDJN-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.57
Rot. Bonds2

About 3-pyridin-4-yl-1H-pyrazole-5-carboxamide

3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 25106803) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID25106803
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H8N4O/c10-9(14)8-5-7(12-13-8)6-1-3-11-4-2-6/h1-5H,(H2,10,14)(H,12,13)
InChIKeyZGZCJIUBDHQDJN-UHFFFAOYSA-N
XLogP0.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 25106803) is 3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-4-yl-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ZGZCJIUBDHQDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9(14)8-5-7(12-13-8)6-1-3-11-4-2-6/h1-5H,(H2,10,14)(H,12,13).
What are the key properties of 3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 25106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).