5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

C21H28N4O3 — CID 147349873

IUPAC5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(C)(O)CC2)n(C(C)c2ccccc2)n1
InChIInChI=1S/C21H28N4O3/c1-14(15-7-5-4-6-8-15)25-18(13-17(24-25)19(26)22-3)20(27)23-16-9-11-21(2,28)12-10-16/h4-8,13-14,16,28H,9-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDFECRZWMIJXCAL-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.28
Rot. Bonds5

About 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (PubChem CID 147349873) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
PubChem CID147349873
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(C)(O)CC2)n(C(C)c2ccccc2)n1
InChIInChI=1S/C21H28N4O3/c1-14(15-7-5-4-6-8-15)25-18(13-17(24-25)19(26)22-3)20(27)23-16-9-11-21(2,28)12-10-16/h4-8,13-14,16,28H,9-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDFECRZWMIJXCAL-UHFFFAOYSA-N
XLogP2.28
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 167262141
methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 142418233
5-N-(3,3-diethoxypropyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 135318596
3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297955
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
CID 142418210
5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418097
5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 153297978
N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-[(1R)-1-phenylethyl]-3-propanoylpyrazole-5-carboxamide
CID 159744127
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (CID 147349873) is 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(C)(O)CC2)n(C(C)c2ccccc2)n1.
What is the InChIKey of 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is DFECRZWMIJXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(15-7-5-4-6-8-15)25-18(13-17(24-25)19(26)22-3)20(27)23-16-9-11-21(2,28)12-10-16/h4-8,13-14,16,28H,9-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 147349873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).