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

C19H27ClN6 — CID 111911388

IUPAC2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC(c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C19H27ClN6/c1-2-25-11-3-5-17(25)13-22-19(21)23-14-18(26-12-4-10-24-26)15-6-8-16(20)9-7-15/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3,(H3,21,22,23)
InChIKeyRINDBXDRWICAMU-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.51
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 111911388) has the molecular formula C19H27ClN6 and a molecular weight of 374.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
PubChem CID111911388
Molecular FormulaC19H27ClN6
Molecular Weight374.92 g/mol
Exact Mass374.20
IUPAC Name2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC(c1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C19H27ClN6/c1-2-25-11-3-5-17(25)13-22-19(21)23-14-18(26-12-4-10-24-26)15-6-8-16(20)9-7-15/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3,(H3,21,22,23)
InChIKeyRINDBXDRWICAMU-UHFFFAOYSA-N
XLogP2.51
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029884
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043621
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062879
2-[2-[benzyl(methyl)amino]propyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111810297
2-[(2-ethylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111817670
2-[(5-bromo-2-fluorophenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111064562
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 110061969
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111088587
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111721995
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111051550
1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 146129047
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (CID 111911388) is 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is CCN1CCCC1CN/C(N)=N/CC(c1ccc(Cl)cc1)n1cccn1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is RINDBXDRWICAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6/c1-2-25-11-3-5-17(25)13-22-19(21)23-14-18(26-12-4-10-24-26)15-6-8-16(20)9-7-15/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3,(H3,21,22,23).
What are the key properties of 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 374.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111911388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).