3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

C17H16N4O2 — CID 666109

IUPAC3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNCAGVSHCBONDJT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds4

About 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 666109) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID666109
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNCAGVSHCBONDJT-UHFFFAOYSA-N
XLogP2.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 666109) is 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is Cc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NCAGVSHCBONDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-2-3-16(22)13(8-11)14-9-15(21-20-14)17(23)19-10-12-4-6-18-7-5-12/h2-9,22H,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).