[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid

C11H17N3O3 — CID 90134467

IUPAC[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid
SMILESCn1nccc1C1(O)CCC(NC(=O)O)CC1
InChIInChI=1S/C11H17N3O3/c1-14-9(4-7-12-14)11(17)5-2-8(3-6-11)13-10(15)16/h4,7-8,13,17H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyGOKDQCSLZAQLKF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.82
Rot. Bonds2

About [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid

[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid (PubChem CID 90134467) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid
PubChem CID90134467
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid
SMILESCn1nccc1C1(O)CCC(NC(=O)O)CC1
InChIInChI=1S/C11H17N3O3/c1-14-9(4-7-12-14)11(17)5-2-8(3-6-11)13-10(15)16/h4,7-8,13,17H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyGOKDQCSLZAQLKF-UHFFFAOYSA-N
XLogP0.82
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
CID 63961552
4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
CID 107331436
3-(2-methylpyrazol-3-yl)oxolan-3-ol
CID 63960932
ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 178114878
3-(2-methylpyrazol-3-yl)thiolan-3-ol
CID 79950623
(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
CID 162368011
2-methyl-1-(2-methylpyrazol-3-yl)cyclopropan-1-ol
CID 79333490
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S,5S)-3-hydroxy-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98073780
(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid?
The IUPAC name of [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid (CID 90134467) is [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid is Cn1nccc1C1(O)CCC(NC(=O)O)CC1.
What is the InChIKey of [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid?
The InChIKey is GOKDQCSLZAQLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-9(4-7-12-14)11(17)5-2-8(3-6-11)13-10(15)16/h4,7-8,13,17H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid?
[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid has a molecular weight of 239.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 90134467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).