2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine

C11H19N5 — CID 62364515

IUPAC2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine
SMILESCn1cc(N/C(N)=N/C2CCCCC2)cn1
InChIInChI=1S/C11H19N5/c1-16-8-10(7-13-16)15-11(12)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,12,14,15)
InChIKeyZFMPVMSWLWXPHU-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.48
Rot. Bonds2

About 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine

2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine (PubChem CID 62364515) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine
PubChem CID62364515
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine
SMILESCn1cc(N/C(N)=N/C2CCCCC2)cn1
InChIInChI=1S/C11H19N5/c1-16-8-10(7-13-16)15-11(12)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,12,14,15)
InChIKeyZFMPVMSWLWXPHU-UHFFFAOYSA-N
XLogP1.48
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.48
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

N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
CID 102805925
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885302
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
CID 103568898
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine
CID 95761513

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine (CID 62364515) is 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine is Cn1cc(N/C(N)=N/C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine?
The InChIKey is ZFMPVMSWLWXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-8-10(7-13-16)15-11(12)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,12,14,15).
What are the key properties of 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine?
2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine has a molecular weight of 221.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine is sourced from PubChem (CID 62364515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).