5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole

C20H17N3S — CID 1476741

IUPAC5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeySMZNGPNGQZVFPT-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.03
Rot. Bonds4

About 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole

5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 1476741) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID1476741
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeySMZNGPNGQZVFPT-UHFFFAOYSA-N
XLogP5.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 18672225
5-[1-(Benzenesulfonyl)-3-pyrazolyl]-2-phenylthiazole
CID 1476736
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
Phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476749
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
CID 15944745
CID 15944745

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 1476741) is 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is Cc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is SMZNGPNGQZVFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3.
What are the key properties of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).