1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol

C14H19N3OS — CID 47053600

IUPAC1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
SMILESOC(CN1CCCC1c1ccsc1)Cn1cccn1
InChIInChI=1S/C14H19N3OS/c18-13(10-17-7-2-5-15-17)9-16-6-1-3-14(16)12-4-8-19-11-12/h2,4-5,7-8,11,13-14,18H,1,3,6,9-10H2
InChIKeyFYDOYMUMKCIIEH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.14
Rot. Bonds5

About 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol

1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 47053600) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID47053600
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
SMILESOC(CN1CCCC1c1ccsc1)Cn1cccn1
InChIInChI=1S/C14H19N3OS/c18-13(10-17-7-2-5-15-17)9-16-6-1-3-14(16)12-4-8-19-11-12/h2,4-5,7-8,11,13-14,18H,1,3,6,9-10H2
InChIKeyFYDOYMUMKCIIEH-UHFFFAOYSA-N
XLogP2.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol (CID 47053600) is 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol is OC(CN1CCCC1c1ccsc1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is FYDOYMUMKCIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-13(10-17-7-2-5-15-17)9-16-6-1-3-14(16)12-4-8-19-11-12/h2,4-5,7-8,11,13-14,18H,1,3,6,9-10H2.
What are the key properties of 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol?
1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 47053600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).