[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol

C12H21N3O — CID 103753154

IUPAC[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ccc(CNC2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O/c1-15-7-6-12(14-15)8-13-11-4-2-10(9-16)3-5-11/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyWDROTOFLUZWOIH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds4

About [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol

[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 103753154) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID103753154
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ccc(CNC2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O/c1-15-7-6-12(14-15)8-13-11-4-2-10(9-16)3-5-11/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyWDROTOFLUZWOIH-UHFFFAOYSA-N
XLogP1.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 115320188
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol (CID 103753154) is [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol is Cn1ccc(CNC2CCC(CO)CC2)n1.
What is the InChIKey of [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is WDROTOFLUZWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-6-12(14-15)8-13-11-4-2-10(9-16)3-5-11/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol?
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 103753154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).