2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol

C14H25N3O — CID 114197587

IUPAC2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)n1nccc1C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-11(2)17-12(7-8-15-17)13(18)14(3,4)16-9-5-6-10-16/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyOHCBIAGDTWJSLL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol

2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 114197587) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID114197587
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)n1nccc1C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-11(2)17-12(7-8-15-17)13(18)14(3,4)16-9-5-6-10-16/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyOHCBIAGDTWJSLL-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol (CID 114197587) is 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol is CC(C)n1nccc1C(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is OHCBIAGDTWJSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-12(7-8-15-17)13(18)14(3,4)16-9-5-6-10-16/h7-8,11,13,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol?
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 114197587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).