trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol

C10H17N3O — CID 102731415

IUPACtrans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1cc(N[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-8(6-11-13)12-9-4-2-3-5-10(9)14/h6-7,9-10,12,14H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyXHQQSKMIEYFHTK-UWVGGRQHSA-N
MW195.27 g/mol
LogP1.14
Rot. Bonds2

About trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol (PubChem CID 102731415) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
PubChem CID102731415
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nametrans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1cc(N[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-8(6-11-13)12-9-4-2-3-5-10(9)14/h6-7,9-10,12,14H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyXHQQSKMIEYFHTK-UWVGGRQHSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
N-(2-ethylcyclopentyl)-1-methylpyrazol-4-amine
CID 115903312
1-methyl-N-(2-piperidin-2-ylcyclohexyl)pyrazol-4-amine
CID 79553269
N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-4-amine
CID 61308966
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
CID 98119478
trans-(1R,2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]amino]cyclopentan-1-ol
CID 175146402
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 104927951
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol (CID 102731415) is trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol is Cn1cc(N[C@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol?
The InChIKey is XHQQSKMIEYFHTK-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-8(6-11-13)12-9-4-2-3-5-10(9)14/h6-7,9-10,12,14H,2-5H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).