1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea

C15H19ClN4S — CID 19327048

IUPAC1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea
SMILESCCn1ncc(Cl)c1CNC(=S)NC(C)c1ccccc1
InChIInChI=1S/C15H19ClN4S/c1-3-20-14(13(16)9-18-20)10-17-15(21)19-11(2)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H2,17,19,21)
InChIKeyRPCJVFBWNCWCBL-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.28
Rot. Bonds5

About 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea

1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea (PubChem CID 19327048) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea
PubChem CID19327048
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea
SMILESCCn1ncc(Cl)c1CNC(=S)NC(C)c1ccccc1
InChIInChI=1S/C15H19ClN4S/c1-3-20-14(13(16)9-18-20)10-17-15(21)19-11(2)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H2,17,19,21)
InChIKeyRPCJVFBWNCWCBL-UHFFFAOYSA-N
XLogP3.28
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19327050
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(1-phenylethyl)thiourea
CID 19465006
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[(2S)-butan-2-yl]-3-[(1S)-1-phenylethyl]thiourea
CID 101001984
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 19469291
1-[3-(4-methylpyrazol-1-yl)propyl]-3-(1-phenylethyl)thiourea
CID 19572963

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea?
The IUPAC name of 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea (CID 19327048) is 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea.
What is the SMILES notation for 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea?
The canonical SMILES for 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea is CCn1ncc(Cl)c1CNC(=S)NC(C)c1ccccc1.
What is the InChIKey of 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea?
The InChIKey is RPCJVFBWNCWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-3-20-14(13(16)9-18-20)10-17-15(21)19-11(2)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea?
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea has a molecular weight of 322.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1-phenylethyl)thiourea is sourced from PubChem (CID 19327048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).