1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol

C15H25ClN2O — CID 107449671

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C15H25ClN2O/c1-10(2)12-6-5-7-15(19,8-12)9-13-11(3)17-18(4)14(13)16/h10,12,19H,5-9H2,1-4H3
InChIKeyYTDFOQMPUFZXAD-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.50
Rot. Bonds3

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449671) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449671
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C15H25ClN2O/c1-10(2)12-6-5-7-15(19,8-12)9-13-11(3)17-18(4)14(13)16/h10,12,19H,5-9H2,1-4H3
InChIKeyYTDFOQMPUFZXAD-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539264
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450001
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
5-chloro-1,3-dimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
CID 113470300
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449696

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol (CID 107449671) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol is Cc1nn(C)c(Cl)c1CC1(O)CCCC(C(C)C)C1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is YTDFOQMPUFZXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-10(2)12-6-5-7-15(19,8-12)9-13-11(3)17-18(4)14(13)16/h10,12,19H,5-9H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 284.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).