1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

C17H24N6O — CID 109383300

IUPAC1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)CC1CCOC1
InChIInChI=1S/C17H24N6O/c1-18-17(22(2)12-15-5-9-24-13-15)20-11-14-4-7-19-16(10-14)23-8-3-6-21-23/h3-4,6-8,10,15H,5,9,11-13H2,1-2H3,(H,18,20)
InChIKeyINCAUBGBLYJPKB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.31
Rot. Bonds5

About 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 109383300) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID109383300
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)CC1CCOC1
InChIInChI=1S/C17H24N6O/c1-18-17(22(2)12-15-5-9-24-13-15)20-11-14-4-7-19-16(10-14)23-8-3-6-21-23/h3-4,6-8,10,15H,5,9,11-13H2,1-2H3,(H,18,20)
InChIKeyINCAUBGBLYJPKB-UHFFFAOYSA-N
XLogP1.31
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109384410
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 109386552
1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111289719
1,2-dimethyl-1-pent-4-enyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109497928
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111275452
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 109381702
3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383249
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(3-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 109385890
1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111308499
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
1,2-dimethyl-3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385180

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (CID 109383300) is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is C/N=C(/NCc1ccnc(-n2cccn2)c1)N(C)CC1CCOC1.
What is the InChIKey of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is INCAUBGBLYJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-18-17(22(2)12-15-5-9-24-13-15)20-11-14-4-7-19-16(10-14)23-8-3-6-21-23/h3-4,6-8,10,15H,5,9,11-13H2,1-2H3,(H,18,20).
What are the key properties of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 328.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 109383300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).