1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol

C13H21N3O — CID 166265672

IUPAC1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESOC1(c2ccn[nH]2)CCN(CC2CCCC2)C1
InChIInChI=1S/C13H21N3O/c17-13(12-5-7-14-15-12)6-8-16(10-13)9-11-3-1-2-4-11/h5,7,11,17H,1-4,6,8-10H2,(H,14,15)
InChIKeyQMNJCSOWOCUVTF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.49
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol

1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol (PubChem CID 166265672) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
PubChem CID166265672
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESOC1(c2ccn[nH]2)CCN(CC2CCCC2)C1
InChIInChI=1S/C13H21N3O/c17-13(12-5-7-14-15-12)6-8-16(10-13)9-11-3-1-2-4-11/h5,7,11,17H,1-4,6,8-10H2,(H,14,15)
InChIKeyQMNJCSOWOCUVTF-UHFFFAOYSA-N
XLogP1.49
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol (CID 166265672) is 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol is OC1(c2ccn[nH]2)CCN(CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The InChIKey is QMNJCSOWOCUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(12-5-7-14-15-12)6-8-16(10-13)9-11-3-1-2-4-11/h5,7,11,17H,1-4,6,8-10H2,(H,14,15).
What are the key properties of 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(1H-pyrazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 166265672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).