1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine

C17H23N5 — CID 119119668

IUPAC1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
SMILESN/C(=N\Cc1ccn(-c2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-17(20-14-7-3-1-4-8-14)19-13-15-11-12-22(21-15)16-9-5-2-6-10-16/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H3,18,19,20)
InChIKeyCQOZTJASAVLTLS-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.61
Rot. Bonds4

About 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine

1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine (PubChem CID 119119668) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
PubChem CID119119668
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
SMILESN/C(=N\Cc1ccn(-c2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C17H23N5/c18-17(20-14-7-3-1-4-8-14)19-13-15-11-12-22(21-15)16-9-5-2-6-10-16/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H3,18,19,20)
InChIKeyCQOZTJASAVLTLS-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-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 110917611
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
1-tert-butyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119672
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
CID 47086560
1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848
1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine
CID 119119704
1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110026737
1-cycloheptyl-2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 167864379
1-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
CID 119119713
1-cyclohexyl-3-ethyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine;hydroiodide
CID 110957013
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine (CID 119119668) is 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine is N/C(=N\Cc1ccn(-c2ccccc2)n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The InChIKey is CQOZTJASAVLTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c18-17(20-14-7-3-1-4-8-14)19-13-15-11-12-22(21-15)16-9-5-2-6-10-16/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine?
1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)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-[(1-phenylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 119119668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).