N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H17N3O2 — CID 8888948

IUPACN-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)12-19-18(22)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKHMPUYNJHNMWRF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8888948) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8888948
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)12-19-18(22)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKHMPUYNJHNMWRF-UHFFFAOYSA-N
XLogP3.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 8888948) is N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KHMPUYNJHNMWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)12-19-18(22)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8888948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).