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

C13H23N3O — CID 65115613

IUPAC4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cnn(C)c2)CC1
InChIInChI=1S/C13H23N3O/c1-11-3-5-13(17,6-4-11)10-14-7-12-8-15-16(2)9-12/h8-9,11,14,17H,3-7,10H2,1-2H3
InChIKeyPXPWVVQDPBFEKU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds4

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

4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65115613) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65115613
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cnn(C)c2)CC1
InChIInChI=1S/C13H23N3O/c1-11-3-5-13(17,6-4-11)10-14-7-12-8-15-16(2)9-12/h8-9,11,14,17H,3-7,10H2,1-2H3
InChIKeyPXPWVVQDPBFEKU-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932481
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
4-methyl-1-[[(1-methylindol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107235815
1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 106936957
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
CID 65401861
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 65115613) is 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNCc2cnn(C)c2)CC1.
What is the InChIKey of 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PXPWVVQDPBFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-3-5-13(17,6-4-11)10-14-7-12-8-15-16(2)9-12/h8-9,11,14,17H,3-7,10H2,1-2H3.
What are the key properties of 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).