3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol

C13H23N3O — CID 82870128

IUPAC3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
SMILESCn1ccc(CC(O)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,16-7-4-5-8-16)12(17)10-11-6-9-15(3)14-11/h6,9,12,17H,4-5,7-8,10H2,1-3H3
InChIKeyDPECSELGMGDOAP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.20
Rot. Bonds4

About 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol

3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 82870128) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID82870128
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
SMILESCn1ccc(CC(O)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,16-7-4-5-8-16)12(17)10-11-6-9-15(3)14-11/h6,9,12,17H,4-5,7-8,10H2,1-3H3
InChIKeyDPECSELGMGDOAP-UHFFFAOYSA-N
XLogP1.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 82876806
3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
CID 82870006
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055865
3-[2-(bromomethyl)-3,3-dimethylbutyl]-1-methylpyrazole
CID 83142428
1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055943
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol (CID 82870128) is 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol is Cn1ccc(CC(O)C(C)(C)N2CCCC2)n1.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is DPECSELGMGDOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,16-7-4-5-8-16)12(17)10-11-6-9-15(3)14-11/h6,9,12,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol?
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 82870128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).