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

C12H16N4OS — CID 49411413

IUPAC5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCc2nccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-2-3-9-8-10(16-15-9)12(17)14-5-4-11-13-6-7-18-11/h6-8H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyNWJDWRFFDWPDSG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.79
Rot. Bonds6

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

5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 49411413) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID49411413
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCc2nccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-2-3-9-8-10(16-15-9)12(17)14-5-4-11-13-6-7-18-11/h6-8H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyNWJDWRFFDWPDSG-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 49411413) is 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCCc2nccs2)n[nH]1.
What is the InChIKey of 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NWJDWRFFDWPDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-3-9-8-10(16-15-9)12(17)14-5-4-11-13-6-7-18-11/h6-8H,2-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 49411413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).