1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine

C22H34N6 — CID 109406003

IUPAC1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C22H34N6/c1-5-20-19(21(6-2)27(4)26-20)15-24-22(23-3)25-17-11-10-14-28(16-17)18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3,(H2,23,24,25)
InChIKeyKWVMGVMOLCANQI-UHFFFAOYSA-N
MW382.56 g/mol
LogP2.88
Rot. Bonds6

About 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine (PubChem CID 109406003) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine
PubChem CID109406003
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C22H34N6/c1-5-20-19(21(6-2)27(4)26-20)15-24-22(23-3)25-17-11-10-14-28(16-17)18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3,(H2,23,24,25)
InChIKeyKWVMGVMOLCANQI-UHFFFAOYSA-N
XLogP2.88
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 52.88
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'}

Analyze 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylguanidine
CID 109405839
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine
CID 109406354
1-(1-cyclohexylpiperidin-3-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
CID 109405787
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109405412
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 109401895
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
CID 109458520
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 109405327
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439413
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109404990
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910000
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111909613

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine?
The IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine (CID 109406003) is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine.
What is the SMILES notation for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine?
The canonical SMILES for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine is CCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine?
The InChIKey is KWVMGVMOLCANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-5-20-19(21(6-2)27(4)26-20)15-24-22(23-3)25-17-11-10-14-28(16-17)18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine?
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine has a molecular weight of 382.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine is sourced from PubChem (CID 109406003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).