2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine

C19H27N5 — CID 111794745

IUPAC2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(-n2cccn2)c1)NC1CCC(C)CC1
InChIInChI=1S/C19H27N5/c1-15-7-9-17(10-8-15)23-19(20-2)21-14-16-5-3-6-18(13-16)24-12-4-11-22-24/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H2,20,21,23)
InChIKeyIZKFOVSPKTWRDA-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine

2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111794745) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111794745
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(-n2cccn2)c1)NC1CCC(C)CC1
InChIInChI=1S/C19H27N5/c1-15-7-9-17(10-8-15)23-19(20-2)21-14-16-5-3-6-18(13-16)24-12-4-11-22-24/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H2,20,21,23)
InChIKeyIZKFOVSPKTWRDA-UHFFFAOYSA-N
XLogP3.12
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.12
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-pentyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792083
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
2-methyl-1-(oxolan-2-ylmethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792235
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111797049
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255685
2-methyl-1-(4-methylcyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111256161
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111793880
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111909423
1-cyclopentyl-3-ethyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111790963
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111795786
2-methyl-1-(1-propylpiperidin-4-yl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111020073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine (CID 111794745) is 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine is C/N=C(\NCc1cccc(-n2cccn2)c1)NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is IZKFOVSPKTWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-7-9-17(10-8-15)23-19(20-2)21-14-16-5-3-6-18(13-16)24-12-4-11-22-24/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H2,20,21,23).
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111794745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).