4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

C9H11ClN4OS — CID 17026884

IUPAC4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C9H11ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h5H,2-4H2,1H3,(H,11,12,15)
InChIKeyZGVOLKFUTQRVFA-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.39
Rot. Bonds2

About 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 17026884) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID17026884
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C9H11ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h5H,2-4H2,1H3,(H,11,12,15)
InChIKeyZGVOLKFUTQRVFA-UHFFFAOYSA-N
XLogP1.39
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 17026884) is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NC2=NCCS2)n1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is ZGVOLKFUTQRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4OS/c1-2-14-5-6(10)7(13-14)8(15)12-9-11-3-4-16-9/h5H,2-4H2,1H3,(H,11,12,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 258.73 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17026884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).