1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide

C22H23ClN4O — CID 86876173

IUPAC1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CC2CC2)C(C)c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(18-6-4-3-5-7-18)26(14-17-8-9-17)22(28)21-24-16(2)27(25-21)20-12-10-19(23)11-13-20/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyGEQBATYSLUDLLY-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.84
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 86876173) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID86876173
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CC2CC2)C(C)c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(18-6-4-3-5-7-18)26(14-17-8-9-17)22(28)21-24-16(2)27(25-21)20-12-10-19(23)11-13-20/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyGEQBATYSLUDLLY-UHFFFAOYSA-N
XLogP4.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1,2,4-triazole-3-carboxamide
CID 78873942
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 71940416
methyl 2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-propan-2-ylamino]acetate
CID 78884635
1-(4-chlorophenyl)-N-(3-hydroxybutyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 111433492
(1-oxo-1-phenylpropan-2-yl) 1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 42920943
1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 24546553
1-(4-chlorophenyl)-N-(2-hydroxypropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78856116
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78865661
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86832361
1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692565
1-(4-chlorophenyl)-5-methyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 24542740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 86876173) is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(CC2CC2)C(C)c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is GEQBATYSLUDLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15(18-6-4-3-5-7-18)26(14-17-8-9-17)22(28)21-24-16(2)27(25-21)20-12-10-19(23)11-13-20/h3-7,10-13,15,17H,8-9,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-5-methyl-N-(1-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86876173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).