N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H11N3O2 — CID 754437

IUPACN-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)13-11(15)10-6-7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15)
InChIKeyOKJNTNCDJJUPEQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.67
Rot. Bonds3

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

N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 754437) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID754437
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)13-11(15)10-6-7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15)
InChIKeyOKJNTNCDJJUPEQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 754437) is N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OKJNTNCDJJUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)13-11(15)10-6-7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 754437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).