[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol

C11H19N3O — CID 102788013

IUPAC[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCn2cccn2)C1CO
InChIInChI=1S/C11H19N3O/c1-10-3-6-13(11(10)9-15)7-8-14-5-2-4-12-14/h2,4-5,10-11,15H,3,6-9H2,1H3
InChIKeyRBBBGVKHLPNWCZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds4

About [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol (PubChem CID 102788013) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
PubChem CID102788013
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCn2cccn2)C1CO
InChIInChI=1S/C11H19N3O/c1-10-3-6-13(11(10)9-15)7-8-14-5-2-4-12-14/h2,4-5,10-11,15H,3,6-9H2,1H3
InChIKeyRBBBGVKHLPNWCZ-UHFFFAOYSA-N
XLogP0.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol (CID 102788013) is [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol is CC1CCN(CCn2cccn2)C1CO.
What is the InChIKey of [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is RBBBGVKHLPNWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-3-6-13(11(10)9-15)7-8-14-5-2-4-12-14/h2,4-5,10-11,15H,3,6-9H2,1H3.
What are the key properties of [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).