3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

C17H29N5O — CID 109385795

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccn(C2CCCC2)n1)N(C)CC1CCOC1
InChIInChI=1S/C17H29N5O/c1-18-17(21(2)12-14-8-10-23-13-14)19-11-15-7-9-22(20-15)16-5-3-4-6-16/h7,9,14,16H,3-6,8,10-13H2,1-2H3,(H,18,19)
InChIKeyZKNZLZSHHJXPBJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.04
Rot. Bonds5

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

3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109385795) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109385795
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccn(C2CCCC2)n1)N(C)CC1CCOC1
InChIInChI=1S/C17H29N5O/c1-18-17(21(2)12-14-8-10-23-13-14)19-11-15-7-9-22(20-15)16-5-3-4-6-16/h7,9,14,16H,3-6,8,10-13H2,1-2H3,(H,18,19)
InChIKeyZKNZLZSHHJXPBJ-UHFFFAOYSA-N
XLogP2.04
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
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

1,2-dimethyl-3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385180
3-[(2-fluorophenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383944
1,2-dimethyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384614
1,2-dimethyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385140
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 109385275
1,2-dimethyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109381464
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109383300
3-[(2-hydroxy-5-methoxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383777
3-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383279
3-[(3-cyclohexyloxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385221
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109384603
3-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385143

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (CID 109385795) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(/NCc1ccn(C2CCCC2)n1)N(C)CC1CCOC1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is ZKNZLZSHHJXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-18-17(21(2)12-14-8-10-23-13-14)19-11-15-7-9-22(20-15)16-5-3-4-6-16/h7,9,14,16H,3-6,8,10-13H2,1-2H3,(H,18,19).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 319.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109385795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).