1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea

C19H19FN4S — CID 17299221

IUPAC1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea
SMILESCCc1ccccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4S/c1-2-15-5-3-4-6-17(15)21-19(25)22-18-11-12-24(23-18)13-14-7-9-16(20)10-8-14/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyOGCUMVNFZYUKBF-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea

1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea (PubChem CID 17299221) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea
PubChem CID17299221
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea
SMILESCCc1ccccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4S/c1-2-15-5-3-4-6-17(15)21-19(25)22-18-11-12-24(23-18)13-14-7-9-16(20)10-8-14/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyOGCUMVNFZYUKBF-UHFFFAOYSA-N
XLogP4.44
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-(2-ethylphenyl)thiourea
CID 17268305
1-(1-benzylpyrazol-3-yl)-3-(4-fluorophenyl)thiourea
CID 17284114
1-(2,4-difluorophenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19676977
1-(2-methylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 17382761
1-(1-benzylpyrazol-3-yl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395285
1-[2-(difluoromethoxy)-4-methylphenyl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395096
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(1-ethylpyrazol-3-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17282048
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19401292
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
1-(4-ethylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 19399205
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,4-difluorophenyl)thiourea
CID 17300752

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea (CID 17299221) is 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea is CCc1ccccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea?
The InChIKey is OGCUMVNFZYUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c1-2-15-5-3-4-6-17(15)21-19(25)22-18-11-12-24(23-18)13-14-7-9-16(20)10-8-14/h3-12H,2,13H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea?
1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea has a molecular weight of 354.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea is sourced from PubChem (CID 17299221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).