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

C17H23N5 — CID 111063308

IUPAC1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-17(21-15-5-2-1-3-6-15)19-13-14-7-9-16(10-8-14)22-12-4-11-20-22/h4,7-12,15H,1-3,5-6,13H2,(H3,18,19,21)
InChIKeyDPNMXXMVDHDKFD-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.61
Rot. Bonds4

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

1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111063308) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111063308
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-17(21-15-5-2-1-3-6-15)19-13-14-7-9-16(10-8-14)22-12-4-11-20-22/h4,7-12,15H,1-3,5-6,13H2,(H3,18,19,21)
InChIKeyDPNMXXMVDHDKFD-UHFFFAOYSA-N
XLogP2.61
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.61
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

1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cycloheptyl-2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 167864379
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 111063308) is 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is N/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is DPNMXXMVDHDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c18-17(21-15-5-2-1-3-6-15)19-13-14-7-9-16(10-8-14)22-12-4-11-20-22/h4,7-12,15H,1-3,5-6,13H2,(H3,18,19,21).
What are the key properties of 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 297.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111063308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).