2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol

C12H21N3O — CID 105481090

IUPAC2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol
SMILESCc1c(CCO)cnn1C1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-10-11(5-7-16)8-13-15(10)12-4-3-6-14(2)9-12/h8,12,16H,3-7,9H2,1-2H3
InChIKeySAZNHQBSYVCGDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds3

About 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol

2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol (PubChem CID 105481090) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol
PubChem CID105481090
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol
SMILESCc1c(CCO)cnn1C1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-10-11(5-7-16)8-13-15(10)12-4-3-6-14(2)9-12/h8,12,16H,3-7,9H2,1-2H3
InChIKeySAZNHQBSYVCGDN-UHFFFAOYSA-N
XLogP0.99
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]ethanol
CID 105463332
5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
CID 90104184
5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol
CID 117232052
4-iodo-5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 90382918
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]ethanol
CID 105449213
2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid
CID 105480535
1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
CID 105496744
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
CID 62977491
4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
CID 117231831
2-[4-(ethylaminomethyl)-5-methylpyrazol-1-yl]cyclopentan-1-ol
CID 62714625

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol (CID 105481090) is 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol is Cc1c(CCO)cnn1C1CCCN(C)C1.
What is the InChIKey of 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol?
The InChIKey is SAZNHQBSYVCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-11(5-7-16)8-13-15(10)12-4-3-6-14(2)9-12/h8,12,16H,3-7,9H2,1-2H3.
What are the key properties of 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol?
2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 105481090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).