4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole

C7H3ClF2N2S — CID 174363206

IUPAC4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
SMILESFc1cc(F)c(-c2[nH]ncc2Cl)s1
InChIInChI=1S/C7H3ClF2N2S/c8-3-2-11-12-6(3)7-4(9)1-5(10)13-7/h1-2H,(H,11,12)
InChIKeyOMUIRPOFFHVMAT-UHFFFAOYSA-N
MW220.63 g/mol
LogP3.07
Rot. Bonds1

About 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole

4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole (PubChem CID 174363206) has the molecular formula C7H3ClF2N2S and a molecular weight of 220.63 g/mol. Its IUPAC name is 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
PubChem CID174363206
Molecular FormulaC7H3ClF2N2S
Molecular Weight220.63 g/mol
Exact Mass219.97
IUPAC Name4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
SMILESFc1cc(F)c(-c2[nH]ncc2Cl)s1
InChIInChI=1S/C7H3ClF2N2S/c8-3-2-11-12-6(3)7-4(9)1-5(10)13-7/h1-2H,(H,11,12)
InChIKeyOMUIRPOFFHVMAT-UHFFFAOYSA-N
XLogP3.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole
CID 67683190
5-[4-chloro-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
CID 174316133
5-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
CID 174369385
5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
CID 174417357
4-chloro-5-(2,5-difluorothiophen-3-yl)-1H-pyrazole
CID 174420363
5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
CID 174420368
5-(3-Chloro-2-Thienyl)-1H-Pyrazole
CID 1484051
3-(2,5-Dichloro-3-thienyl)-1H-pyrazole
CID 4121468
3-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 116861822
3-(5-chlorothiophen-2-yl)-4-fluoro-1H-pyrazol-5-amine
CID 165950957
5-(5-Chloro-2-thienyl)-1H-pyrazole
CID 2735822
4-Chloro-3-thiophen-2-yl-1H-pyrazole
CID 15767129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole (CID 174363206) is 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole is Fc1cc(F)c(-c2[nH]ncc2Cl)s1.
What is the InChIKey of 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The InChIKey is OMUIRPOFFHVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2S/c8-3-2-11-12-6(3)7-4(9)1-5(10)13-7/h1-2H,(H,11,12).
What are the key properties of 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole has a molecular weight of 220.63 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-difluorothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 174363206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).