3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol

C13H23N3O — CID 80561480

IUPAC3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCCc1cc(CC2(O)CCCC(N)C2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-11-7-12(16(2)15-11)9-13(17)6-4-5-10(14)8-13/h7,10,17H,3-6,8-9,14H2,1-2H3
InChIKeyLTLDXAVDOBLMFH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.16
Rot. Bonds3

About 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol

3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 80561480) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID80561480
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCCc1cc(CC2(O)CCCC(N)C2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-11-7-12(16(2)15-11)9-13(17)6-4-5-10(14)8-13/h7,10,17H,3-6,8-9,14H2,1-2H3
InChIKeyLTLDXAVDOBLMFH-UHFFFAOYSA-N
XLogP1.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentan-1-ol
CID 80561654
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999439
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
2-(aminomethyl)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79867248
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301883
1-(aminomethyl)-2-[2-(3,5-diethylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 82699993
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol (CID 80561480) is 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol is CCc1cc(CC2(O)CCCC(N)C2)n(C)n1.
What is the InChIKey of 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is LTLDXAVDOBLMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-7-12(16(2)15-11)9-13(17)6-4-5-10(14)8-13/h7,10,17H,3-6,8-9,14H2,1-2H3.
What are the key properties of 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 80561480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).