[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol

C12H21N3O — CID 43122104

IUPAC[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCCCC2C)c1CO
InChIInChI=1S/C12H21N3O/c1-9-6-4-5-7-15(9)12-11(8-16)10(2)13-14(12)3/h9,16H,4-8H2,1-3H3
InChIKeyAIUCQFJWXPLJAG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds2

About [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol

[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol (PubChem CID 43122104) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
PubChem CID43122104
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCCCC2C)c1CO
InChIInChI=1S/C12H21N3O/c1-9-6-4-5-7-15(9)12-11(8-16)10(2)13-14(12)3/h9,16H,4-8H2,1-3H3
InChIKeyAIUCQFJWXPLJAG-UHFFFAOYSA-N
XLogP1.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170
[5-(2-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 43266645
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
2-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]ethanamine
CID 63782509
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
CID 55237371
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
CID 116634087
1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
CID 63751697
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102959804
[5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-yl]methanol
CID 61445720
N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63071699
2-[1,3-dimethyl-5-(2-propylpiperidin-1-yl)pyrazol-4-yl]ethanamine
CID 83057672
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol (CID 43122104) is [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol is Cc1nn(C)c(N2CCCCC2C)c1CO.
What is the InChIKey of [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol?
The InChIKey is AIUCQFJWXPLJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-6-4-5-7-15(9)12-11(8-16)10(2)13-14(12)3/h9,16H,4-8H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol?
[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43122104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).