5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

C13H16N4O2S — CID 129474098

IUPAC5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1nccs1)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C13H16N4O2S/c18-13(15-3-1-11-14-4-6-20-11)10-7-16-17-12(10)9-2-5-19-8-9/h4,6-7,9H,1-3,5,8H2,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyMHKFIIUQVXPXRS-VIFPVBQESA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds5

About 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 129474098) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID129474098
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1nccs1)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C13H16N4O2S/c18-13(15-3-1-11-14-4-6-20-11)10-7-16-17-12(10)9-2-5-19-8-9/h4,6-7,9H,1-3,5,8H2,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyMHKFIIUQVXPXRS-VIFPVBQESA-N
XLogP1.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 129474098) is 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is O=C(NCCc1nccs1)c1cn[nH]c1[C@H]1CCOC1.
What is the InChIKey of 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MHKFIIUQVXPXRS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-13(15-3-1-11-14-4-6-20-11)10-7-16-17-12(10)9-2-5-19-8-9/h4,6-7,9H,1-3,5,8H2,(H,15,18)(H,16,17)/t9-/m0/s1.
What are the key properties of 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129474098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).