trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol

C9H13ClN2O — CID 102732380

IUPACtrans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c10-7-5-11-12(6-7)8-3-1-2-4-9(8)13/h5-6,8-9,13H,1-4H2/t8-,9-/m0/s1
InChIKeyHUSKQOMRXWIBPN-IUCAKERBSA-N
MW200.67 g/mol
LogP2.01
Rot. Bonds1

About trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol (PubChem CID 102732380) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol
PubChem CID102732380
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Nametrans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c10-7-5-11-12(6-7)8-3-1-2-4-9(8)13/h5-6,8-9,13H,1-4H2/t8-,9-/m0/s1
InChIKeyHUSKQOMRXWIBPN-IUCAKERBSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloropyrazol-1-yl)cycloheptane-1-carbonitrile
CID 55136500
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
2-[4-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 62714631
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde
CID 62713729
2-(4-phenylpyrazol-1-yl)cycloheptan-1-ol
CID 62770073
[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine
CID 81004995
4-chloro-1-pyrrolidin-3-ylpyrazole
CID 62329636
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol
CID 126901597
4-(4-chloropyrazol-1-yl)cyclohexane-1-carbaldehyde
CID 155374177

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol (CID 102732380) is trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1n1cc(Cl)cn1.
What is the InChIKey of trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is HUSKQOMRXWIBPN-IUCAKERBSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-7-5-11-12(6-7)8-3-1-2-4-9(8)13/h5-6,8-9,13H,1-4H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102732380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).