N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide

C18H16ClN3O — CID 50772841

IUPACN-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16ClN3O/c19-17-9-5-4-6-14(17)10-11-20-18(23)15-12-21-22(13-15)16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,23)
InChIKeyHRNRCGWRNACHEH-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 50772841) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID50772841
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16ClN3O/c19-17-9-5-4-6-14(17)10-11-20-18(23)15-12-21-22(13-15)16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,23)
InChIKeyHRNRCGWRNACHEH-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 42025013
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 39302351
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 50772841) is N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide is O=C(NCCc1ccccc1Cl)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is HRNRCGWRNACHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-17-9-5-4-6-14(17)10-11-20-18(23)15-12-21-22(13-15)16-7-2-1-3-8-16/h1-9,12-13H,10-11H2,(H,20,23).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 50772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).