5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

C20H18N2OS — CID 174592956

IUPAC5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2ccccc2)C(c2cccs2)C1
InChIInChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-16(19)17-14-18(20-12-7-13-24-20)22(21-17)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3
InChIKeyDCGWQWSFUDFTIN-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.11
Rot. Bonds4

About 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 174592956) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID174592956
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2ccccc2)C(c2cccs2)C1
InChIInChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-16(19)17-14-18(20-12-7-13-24-20)22(21-17)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3
InChIKeyDCGWQWSFUDFTIN-UHFFFAOYSA-N
XLogP5.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2-[(3S)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797690
4-(4-chlorophenyl)-2-[(3R)-5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797692
4-(4-chlorophenyl)-2-[5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 86819995
(3S)-5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329383
5-chloro-2-methoxy-N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]benzamide
CID 24762755
3-[(3S)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 40539482
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7206586
1-[(3R)-5-(2,5-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 124890632
(5S,10bR)-7-methoxy-2-phenyl-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51463528
5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 26464811

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 174592956) is 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1C1=NN(c2ccccc2)C(c2cccs2)C1.
What is the InChIKey of 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is DCGWQWSFUDFTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-16(19)17-14-18(20-12-7-13-24-20)22(21-17)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 334.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 174592956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).