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

C14H18N4O2S — CID 128965553

IUPAC5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cn[nH]c1C1CCOC1)c1nccs1
InChIInChI=1S/C14H18N4O2S/c1-9(14-15-3-5-21-14)6-16-13(19)11-7-17-18-12(11)10-2-4-20-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLSAPIKWNHFVUOG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.90
Rot. Bonds5

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

5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 128965553) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
PubChem CID128965553
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cn[nH]c1C1CCOC1)c1nccs1
InChIInChI=1S/C14H18N4O2S/c1-9(14-15-3-5-21-14)6-16-13(19)11-7-17-18-12(11)10-2-4-20-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLSAPIKWNHFVUOG-UHFFFAOYSA-N
XLogP1.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide (CID 128965553) is 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide is CC(CNC(=O)c1cn[nH]c1C1CCOC1)c1nccs1.
What is the InChIKey of 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LSAPIKWNHFVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(14-15-3-5-21-14)6-16-13(19)11-7-17-18-12(11)10-2-4-20-8-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide?
5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128965553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).