N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide

C21H17N3O — CID 78851836

IUPACN-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H17N3O/c25-21(18-14-23-24(15-18)19-10-2-1-3-11-19)22-13-17-9-6-8-16-7-4-5-12-20(16)17/h1-12,14-15H,13H2,(H,22,25)
InChIKeyCEVUNLQHDBDOEH-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.96
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide

N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 78851836) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID78851836
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H17N3O/c25-21(18-14-23-24(15-18)19-10-2-1-3-11-19)22-13-17-9-6-8-16-7-4-5-12-20(16)17/h1-12,14-15H,13H2,(H,22,25)
InChIKeyCEVUNLQHDBDOEH-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 78890736
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24543290
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 78851836) is N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide is O=C(NCc1cccc2ccccc12)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CEVUNLQHDBDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(18-14-23-24(15-18)19-10-2-1-3-11-19)22-13-17-9-6-8-16-7-4-5-12-20(16)17/h1-12,14-15H,13H2,(H,22,25).
What are the key properties of N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide?
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 78851836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).