[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

C13H23N3O — CID 62552994

IUPAC[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1[nH]ncc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyVBSFZTFTVZTNPR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds4

About [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 62552994) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID62552994
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1[nH]ncc1CNC1(CO)CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyVBSFZTFTVZTNPR-UHFFFAOYSA-N
XLogP1.75
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62520796
1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 64555262
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
CID 113483028
[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
CID 80648578
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
CID 107235623
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62551641

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 62552994) is [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is Cc1[nH]ncc1CNC1(CO)CCCC(C)C1.
What is the InChIKey of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is VBSFZTFTVZTNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-4-3-5-13(6-10,9-17)14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62552994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).