5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide

C16H25N3O4 — CID 154566671

IUPAC5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C16H25N3O4/c20-9-13-15(21)12(6-7-23-13)18-16(22)11-8-17-19-14(11)10-4-2-1-3-5-10/h8,10,12-13,15,20-21H,1-7,9H2,(H,17,19)(H,18,22)/t12-,13+,15-/m0/s1
InChIKeyBAZVCKUAUVZANF-GUTXKFCHSA-N
MW323.39 g/mol
LogP0.70
Rot. Bonds4

About 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 154566671) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID154566671
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C16H25N3O4/c20-9-13-15(21)12(6-7-23-13)18-16(22)11-8-17-19-14(11)10-4-2-1-3-5-10/h8,10,12-13,15,20-21H,1-7,9H2,(H,17,19)(H,18,22)/t12-,13+,15-/m0/s1
InChIKeyBAZVCKUAUVZANF-GUTXKFCHSA-N
XLogP0.70
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 172657705
5-cyclohexyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91796853
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 163334228
5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 70716700
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 56756015
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
5-(3-fluorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]-1H-pyrazole-4-carboxamide;formic acid
CID 166599892

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide (CID 154566671) is 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is BAZVCKUAUVZANF-GUTXKFCHSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-9-13-15(21)12(6-7-23-13)18-16(22)11-8-17-19-14(11)10-4-2-1-3-5-10/h8,10,12-13,15,20-21H,1-7,9H2,(H,17,19)(H,18,22)/t12-,13+,15-/m0/s1.
What are the key properties of 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154566671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).