N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H14N4O2 — CID 53087359

IUPACN-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyNGCOUKKWSIAGQQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.73
Rot. Bonds4

About N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087359) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53087359
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyNGCOUKKWSIAGQQ-UHFFFAOYSA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53087359) is N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is NGCOUKKWSIAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-16(21)15-10-14(19-20-15)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).