1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide

C13H23N5O — CID 63750874

IUPAC1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1CCCOC1
InChIInChI=1S/C13H23N5O/c1-9-11(12(14)15)13(18(3)16-9)17(2)7-10-5-4-6-19-8-10/h10H,4-8H2,1-3H3,(H3,14,15)
InChIKeyWECWKLUHPVOWAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.88
Rot. Bonds4

About 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide

1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide (PubChem CID 63750874) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
PubChem CID63750874
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1CCCOC1
InChIInChI=1S/C13H23N5O/c1-9-11(12(14)15)13(18(3)16-9)17(2)7-10-5-4-6-19-8-10/h10H,4-8H2,1-3H3,(H3,14,15)
InChIKeyWECWKLUHPVOWAA-UHFFFAOYSA-N
XLogP0.88
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
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

1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboxylic acid
CID 63711700
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751034
1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide
CID 63752289
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
CID 79719369
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744
5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide (CID 63750874) is 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1CCCOC1.
What is the InChIKey of 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide?
The InChIKey is WECWKLUHPVOWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-11(12(14)15)13(18(3)16-9)17(2)7-10-5-4-6-19-8-10/h10H,4-8H2,1-3H3,(H3,14,15).
What are the key properties of 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide?
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide is sourced from PubChem (CID 63750874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).