1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide

C21H28N4O4 — CID 153297983

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)n([C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C21H28N4O4/c1-22-20(27)17-12-18(21(28)23-15-8-10-16(29-2)11-9-15)25(24-17)19(13-26)14-6-4-3-5-7-14/h3-7,12,15-16,19,26H,8-11,13H2,1-2H3,(H,22,27)(H,23,28)/t15?,16?,19-/m0/s1
InChIKeySBUMKVHLQAZKMK-RJYAGPCLSA-N
MW400.48 g/mol
LogP1.51
Rot. Bonds7

About 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide

1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 153297983) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID153297983
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)n([C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C21H28N4O4/c1-22-20(27)17-12-18(21(28)23-15-8-10-16(29-2)11-9-15)25(24-17)19(13-26)14-6-4-3-5-7-14/h3-7,12,15-16,19,26H,8-11,13H2,1-2H3,(H,22,27)(H,23,28)/t15?,16?,19-/m0/s1
InChIKeySBUMKVHLQAZKMK-RJYAGPCLSA-N
XLogP1.51
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide (CID 153297983) is 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(OC)CC2)n([C@@H](CO)c2ccccc2)n1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is SBUMKVHLQAZKMK-RJYAGPCLSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-22-20(27)17-12-18(21(28)23-15-8-10-16(29-2)11-9-15)25(24-17)19(13-26)14-6-4-3-5-7-14/h3-7,12,15-16,19,26H,8-11,13H2,1-2H3,(H,22,27)(H,23,28)/t15?,16?,19-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide?
1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 153297983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).