1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C19H26ClN5 — CID 111640134

IUPAC1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)Cn1cccn1)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5/c1-15(13-25-10-4-9-24-25)12-22-18(21-2)23-14-19(7-8-19)16-5-3-6-17(20)11-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyICMFTDYYWVBTTR-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.07
Rot. Bonds7

About 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111640134) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111640134
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)Cn1cccn1)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5/c1-15(13-25-10-4-9-24-25)12-22-18(21-2)23-14-19(7-8-19)16-5-3-6-17(20)11-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyICMFTDYYWVBTTR-UHFFFAOYSA-N
XLogP3.07
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.07
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-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855877
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111358453
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine
CID 111639910
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111639806
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111197250
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111444506
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111680479
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111988222
1-benzyl-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110954641
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111639689
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111640148
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111640373

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111640134) is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is C/N=C(\NCC(C)Cn1cccn1)NCC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is ICMFTDYYWVBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-15(13-25-10-4-9-24-25)12-22-18(21-2)23-14-19(7-8-19)16-5-3-6-17(20)11-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 359.91 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111640134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).