1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol

C11H19N3O — CID 103005851

IUPAC1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(CCc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O/c1-13-6-5-11(15,9-13)4-3-10-7-12-14(2)8-10/h7-8,15H,3-6,9H2,1-2H3
InChIKeyWCJZQKFPNLKOCB-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.42
Rot. Bonds3

About 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol

1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol (PubChem CID 103005851) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
PubChem CID103005851
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(CCc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O/c1-13-6-5-11(15,9-13)4-3-10-7-12-14(2)8-10/h7-8,15H,3-6,9H2,1-2H3
InChIKeyWCJZQKFPNLKOCB-UHFFFAOYSA-N
XLogP0.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 62976161
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
CID 103006333
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol (CID 103005851) is 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol is CN1CCC(O)(CCc2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is WCJZQKFPNLKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-6-5-11(15,9-13)4-3-10-7-12-14(2)8-10/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol?
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 103005851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).