1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine

C20H22ClN5 — CID 146129047

IUPAC1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)NCC(c2ccc(Cl)cc2)n2cccn2)cc1
InChIInChI=1S/C20H22ClN5/c1-15-3-5-16(6-4-15)13-23-20(22)24-14-19(26-12-2-11-25-26)17-7-9-18(21)10-8-17/h2-12,19H,13-14H2,1H3,(H3,22,23,24)
InChIKeyLXPLBSQNBOHWFE-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine

1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine (PubChem CID 146129047) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
PubChem CID146129047
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)NCC(c2ccc(Cl)cc2)n2cccn2)cc1
InChIInChI=1S/C20H22ClN5/c1-15-3-5-16(6-4-15)13-23-20(22)24-14-19(26-12-2-11-25-26)17-7-9-18(21)10-8-17/h2-12,19H,13-14H2,1H3,(H3,22,23,24)
InChIKeyLXPLBSQNBOHWFE-UHFFFAOYSA-N
XLogP3.54
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine (CID 146129047) is 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine is Cc1ccc(C/N=C(\N)NCC(c2ccc(Cl)cc2)n2cccn2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine?
The InChIKey is LXPLBSQNBOHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-15-3-5-16(6-4-15)13-23-20(22)24-14-19(26-12-2-11-25-26)17-7-9-18(21)10-8-17/h2-12,19H,13-14H2,1H3,(H3,22,23,24).
What are the key properties of 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine?
1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine has a molecular weight of 367.88 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine is sourced from PubChem (CID 146129047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).