4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

C13H23N3O — CID 112745382

IUPAC4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCNCC1(Cc2ccn(C)n2)CCC(O)CC1
InChIInChI=1S/C13H23N3O/c1-14-10-13(6-3-12(17)4-7-13)9-11-5-8-16(2)15-11/h5,8,12,14,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyZUBGIBRJWWATGH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.10
Rot. Bonds4

About 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 112745382) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID112745382
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCNCC1(Cc2ccn(C)n2)CCC(O)CC1
InChIInChI=1S/C13H23N3O/c1-14-10-13(6-3-12(17)4-7-13)9-11-5-8-16(2)15-11/h5,8,12,14,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyZUBGIBRJWWATGH-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
CID 82870443
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 82870698
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82870688
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82870674

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 112745382) is 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is CNCC1(Cc2ccn(C)n2)CCC(O)CC1.
What is the InChIKey of 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is ZUBGIBRJWWATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-10-13(6-3-12(17)4-7-13)9-11-5-8-16(2)15-11/h5,8,12,14,17H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 112745382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).