N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

C19H18ClN3O — CID 71824412

IUPACN-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyUNPHECJJEHPPEI-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.22
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824412) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824412
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyUNPHECJJEHPPEI-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 16600513
5-(4-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 56527832

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (CID 71824412) is N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UNPHECJJEHPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).