1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea

C19H20N4S — CID 19343087

IUPAC1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H20N4S/c24-19(20-12-11-16-7-3-1-4-8-16)22-18-13-21-23(15-18)14-17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H2,20,22,24)
InChIKeyLOGXEOUSSDEWLA-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.46
Rot. Bonds6

About 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea

1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea (PubChem CID 19343087) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
PubChem CID19343087
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H20N4S/c24-19(20-12-11-16-7-3-1-4-8-16)22-18-13-21-23(15-18)14-17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H2,20,22,24)
InChIKeyLOGXEOUSSDEWLA-UHFFFAOYSA-N
XLogP3.46
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.46
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-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
1-benzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342344
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835
1-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)thiourea
CID 19401642
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19344144
1-(1-benzylpyrazol-4-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19333434
1-(1-benzylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 4768948
1-(1-benzylpyrazol-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389953
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-ethylthiourea
CID 19344162

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea (CID 19343087) is 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea?
The InChIKey is LOGXEOUSSDEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c24-19(20-12-11-16-7-3-1-4-8-16)22-18-13-21-23(15-18)14-17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H2,20,22,24).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea?
1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea has a molecular weight of 336.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 19343087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).