1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide

C23H24N4O2 — CID 119128221

IUPAC1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCC(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c24-22(28)21-15-20(26-27(21)19-9-5-2-6-10-19)23(29)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-10,15,17-18H,11-14H2,(H2,24,28)(H,25,29)
InChIKeyLPXOFAKXTGONDY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.43
Rot. Bonds5

About 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide

1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide (PubChem CID 119128221) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
PubChem CID119128221
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCC(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c24-22(28)21-15-20(26-27(21)19-9-5-2-6-10-19)23(29)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-10,15,17-18H,11-14H2,(H2,24,28)(H,25,29)
InChIKeyLPXOFAKXTGONDY-UHFFFAOYSA-N
XLogP3.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide (CID 119128221) is 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide is NC(=O)c1cc(C(=O)NC2CCC(c3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide?
The InChIKey is LPXOFAKXTGONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-22(28)21-15-20(26-27(21)19-9-5-2-6-10-19)23(29)25-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-10,15,17-18H,11-14H2,(H2,24,28)(H,25,29).
What are the key properties of 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide?
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 119128221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).