4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide

C19H25N3O2 — CID 136566340

IUPAC4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1C(O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-22-17(11-12-21-22)18(23)13-20-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18,23H,2-6,13H2,1H3,(H,20,24)
InChIKeySLGDZZWDGSHYFL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.93
Rot. Bonds5

About 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide

4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 136566340) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID136566340
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1C(O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-22-17(11-12-21-22)18(23)13-20-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18,23H,2-6,13H2,1H3,(H,20,24)
InChIKeySLGDZZWDGSHYFL-UHFFFAOYSA-N
XLogP2.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
CID 164642958
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
CID 67483542

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 136566340) is 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide is Cn1nccc1C(O)CNC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is SLGDZZWDGSHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22-17(11-12-21-22)18(23)13-20-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18,23H,2-6,13H2,1H3,(H,20,24).
What are the key properties of 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide?
4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 136566340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).