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

C20H26N4O3 — CID 142417949

IUPAC5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15?,16?/m0/s1
InChIKeyLEXSRVMWXAFLMV-JEYLPNPQSA-N
MW370.45 g/mol
LogP1.89
Rot. Bonds5

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

5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (PubChem CID 142417949) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
PubChem CID142417949
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15?,16?/m0/s1
InChIKeyLEXSRVMWXAFLMV-JEYLPNPQSA-N
XLogP1.89
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide (CID 142417949) is 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@@H](C)c2ccccc2)n1.
What is the InChIKey of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
The InChIKey is LEXSRVMWXAFLMV-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15?,16?/m0/s1.
What are the key properties of 5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide?
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.89, 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-phenylethyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142417949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).