5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide

C21H28N4O3 — CID 147447652

IUPAC5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2cccc(C)c2)n1
InChIInChI=1S/C21H28N4O3/c1-13-5-4-6-15(11-13)14(2)25-19(12-18(24-25)20(27)22-3)21(28)23-16-7-9-17(26)10-8-16/h4-6,11-12,14,16-17,26H,7-10H2,1-3H3,(H,22,27)(H,23,28)/t14-,16?,17?/m0/s1
InChIKeyDXLAHNGTZNWNAW-OOHWJJMZSA-N
MW384.48 g/mol
LogP2.19
Rot. Bonds5

About 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide

5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide (PubChem CID 147447652) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
PubChem CID147447652
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2cccc(C)c2)n1
InChIInChI=1S/C21H28N4O3/c1-13-5-4-6-15(11-13)14(2)25-19(12-18(24-25)20(27)22-3)21(28)23-16-7-9-17(26)10-8-16/h4-6,11-12,14,16-17,26H,7-10H2,1-3H3,(H,22,27)(H,23,28)/t14-,16?,17?/m0/s1
InChIKeyDXLAHNGTZNWNAW-OOHWJJMZSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418097
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 72887819
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-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
CID 142418210
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445
N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-[(1R)-1-phenylethyl]-3-propanoylpyrazole-5-carboxamide
CID 159744127
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418136

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide (CID 147447652) is 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2cccc(C)c2)n1.
What is the InChIKey of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is DXLAHNGTZNWNAW-OOHWJJMZSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13-5-4-6-15(11-13)14(2)25-19(12-18(24-25)20(27)22-3)21(28)23-16-7-9-17(26)10-8-16/h4-6,11-12,14,16-17,26H,7-10H2,1-3H3,(H,22,27)(H,23,28)/t14-,16?,17?/m0/s1.
What are the key properties of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide?
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 147447652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).