5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide

C27H27N5O2 — CID 55962377

IUPAC5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C
InChIInChI=1S/C27H27N5O2/c1-18-9-7-8-12-25(18)32-20(3)24(17-28-32)26(33)29-19(2)21-13-15-23(16-14-21)31-27(34)30-22-10-5-4-6-11-22/h4-17,19H,1-3H3,(H,29,33)(H2,30,31,34)
InChIKeyUVOVAMWGCVRPPI-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.62
Rot. Bonds6

About 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 55962377) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID55962377
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C
InChIInChI=1S/C27H27N5O2/c1-18-9-7-8-12-25(18)32-20(3)24(17-28-32)26(33)29-19(2)21-13-15-23(16-14-21)31-27(34)30-22-10-5-4-6-11-22/h4-17,19H,1-3H3,(H,29,33)(H2,30,31,34)
InChIKeyUVOVAMWGCVRPPI-UHFFFAOYSA-N
XLogP5.62
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119213639
1-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)urea
CID 45197403
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55606320
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55605099
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 25279162
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55887741

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide (CID 55962377) is 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is UVOVAMWGCVRPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-18-9-7-8-12-25(18)32-20(3)24(17-28-32)26(33)29-19(2)21-13-15-23(16-14-21)31-27(34)30-22-10-5-4-6-11-22/h4-17,19H,1-3H3,(H,29,33)(H2,30,31,34).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55962377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).