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

C16H22N6 — CID 111049820

IUPAC1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESN/C(=N\Cc1ccnc(-n2cccn2)c1)NC1CCCCC1
InChIInChI=1S/C16H22N6/c17-16(21-14-5-2-1-3-6-14)19-12-13-7-9-18-15(11-13)22-10-4-8-20-22/h4,7-11,14H,1-3,5-6,12H2,(H3,17,19,21)
InChIKeyOMSKFEMHQGITCU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.00
Rot. Bonds4

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

1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 111049820) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID111049820
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESN/C(=N\Cc1ccnc(-n2cccn2)c1)NC1CCCCC1
InChIInChI=1S/C16H22N6/c17-16(21-14-5-2-1-3-6-14)19-12-13-7-9-18-15(11-13)22-10-4-8-20-22/h4,7-11,14H,1-3,5-6,12H2,(H3,17,19,21)
InChIKeyOMSKFEMHQGITCU-UHFFFAOYSA-N
XLogP2.00
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.00
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-cyclohexyl-3-ethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110956930
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111049841
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110915027
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
1-cycloheptyl-2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 167864379
1,3-diethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110915022
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050169
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (CID 111049820) is 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is N/C(=N\Cc1ccnc(-n2cccn2)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is OMSKFEMHQGITCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c17-16(21-14-5-2-1-3-6-14)19-12-13-7-9-18-15(11-13)22-10-4-8-20-22/h4,7-11,14H,1-3,5-6,12H2,(H3,17,19,21).
What are the key properties of 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 298.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111049820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).