(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C14H14N2OS — CID 40741628

IUPAC(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NN[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C14H14N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-8,13,16H,9H2,1H3/t13-/m0/s1
InChIKeyFPNDSIRONMOKEF-ZDUSSCGKSA-N
MW258.35 g/mol
LogP3.20
Rot. Bonds3

About (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 40741628) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID40741628
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NN[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C14H14N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-8,13,16H,9H2,1H3/t13-/m0/s1
InChIKeyFPNDSIRONMOKEF-ZDUSSCGKSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 4738375
3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175478
4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 4738378
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
5-thiophen-2-yl-3-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazole
CID 18175535
3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175451
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride
CID 154829393
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 10668490
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
5-(4-methoxyphenyl)-N-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 10905291

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 40741628) is (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NN[C@H](c3cccs3)C2)cc1.
What is the InChIKey of (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is FPNDSIRONMOKEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-8,13,16H,9H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 258.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 40741628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).