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

C14H24ClN3O — CID 111696257

IUPAC2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CNCC1(C)CCCCC1O
InChIInChI=1S/C14H24ClN3O/c1-10-11(13(15)18(3)17-10)8-16-9-14(2)7-5-4-6-12(14)19/h12,16,19H,4-9H2,1-3H3
InChIKeyORWHYFLIUYNOBQ-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.41
Rot. Bonds4

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

2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol (PubChem CID 111696257) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol
PubChem CID111696257
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CNCC1(C)CCCCC1O
InChIInChI=1S/C14H24ClN3O/c1-10-11(13(15)18(3)17-10)8-16-9-14(2)7-5-4-6-12(14)19/h12,16,19H,4-9H2,1-3H3
InChIKeyORWHYFLIUYNOBQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 47135988
2-[1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 60469897
2-[[(1,3,5-Trimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927222
2-[[(4-Chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 65857968
2-[[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 65870653
2-(Aminomethyl)-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 65872321
3-(Aminomethyl)-4-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-ol
CID 65872525
2-(Aminomethyl)-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 65884464
3-(Aminomethyl)-4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 65884659
2-(Aminomethyl)-2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 65887727
3-(Aminomethyl)-4-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methylbutan-2-ol
CID 65887731
2-(Aminomethyl)-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 65899307

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol (CID 111696257) is 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol is Cc1nn(C)c(Cl)c1CNCC1(C)CCCCC1O.
What is the InChIKey of 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The InChIKey is ORWHYFLIUYNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-10-11(13(15)18(3)17-10)8-16-9-14(2)7-5-4-6-12(14)19/h12,16,19H,4-9H2,1-3H3.
What are the key properties of 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol?
2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 111696257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).