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'}

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Related Compounds

2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111911383
2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111911388
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 71859798
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid
CID 167906826
2-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111038501
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111087115
1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109438148

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).