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

C18H17N3O2 — CID 154693152

IUPAC5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-16-9-7-13(8-10-16)11-15-12-17(21-20-15)18(22)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyKFJIJGOBAICPGD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds5

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

5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 154693152) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID154693152
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-16-9-7-13(8-10-16)11-15-12-17(21-20-15)18(22)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyKFJIJGOBAICPGD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 154693101
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693145
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide (CID 154693152) is 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide is COc1ccc(Cc2cc(C(=O)Nc3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is KFJIJGOBAICPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-9-7-13(8-10-16)11-15-12-17(21-20-15)18(22)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).