2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

C15H27N5O2 — CID 111648324

IUPAC2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESC/N=C(\NCCCOCC1CCOC1)NCc1ccnn1C
InChIInChI=1S/C15H27N5O2/c1-16-15(18-10-14-4-7-19-20(14)2)17-6-3-8-21-11-13-5-9-22-12-13/h4,7,13H,3,5-6,8-12H2,1-2H3,(H2,16,17,18)
InChIKeyDEVLCDIJMPNDSZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.53
Rot. Bonds8

About 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (PubChem CID 111648324) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
PubChem CID111648324
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESC/N=C(\NCCCOCC1CCOC1)NCc1ccnn1C
InChIInChI=1S/C15H27N5O2/c1-16-15(18-10-14-4-7-19-20(14)2)17-6-3-8-21-11-13-5-9-22-12-13/h4,7,13H,3,5-6,8-12H2,1-2H3,(H2,16,17,18)
InChIKeyDEVLCDIJMPNDSZ-UHFFFAOYSA-N
XLogP0.53
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]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-(cyclopropylmethoxy)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111392749
1-(3-cyclopentyloxypropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956442
1-(3-methoxypropyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647528
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646718
1-(2-cyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111604969
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
1-[(6-chloro-3-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111646959
1-[[2-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646248
2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111648364
2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111645627
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647150
1-(2-ethoxyethyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (CID 111648324) is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The canonical SMILES for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is C/N=C(\NCCCOCC1CCOC1)NCc1ccnn1C.
What is the InChIKey of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The InChIKey is DEVLCDIJMPNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-16-15(18-10-14-4-7-19-20(14)2)17-6-3-8-21-11-13-5-9-22-12-13/h4,7,13H,3,5-6,8-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine has a molecular weight of 309.41 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111648324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).