5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

C14H26N6 — CID 63751034

IUPAC5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)C1CCN(CC)CC1
InChIInChI=1S/C14H26N6/c1-5-20-8-6-11(7-9-20)18(3)14-12(13(15)16)10(2)17-19(14)4/h11H,5-9H2,1-4H3,(H3,15,16)
InChIKeyIXAGBTJBFCVLRV-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.93
Rot. Bonds4

About 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63751034) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63751034
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)C1CCN(CC)CC1
InChIInChI=1S/C14H26N6/c1-5-20-8-6-11(7-9-20)18(3)14-12(13(15)16)10(2)17-19(14)4/h11H,5-9H2,1-4H3,(H3,15,16)
InChIKeyIXAGBTJBFCVLRV-UHFFFAOYSA-N
XLogP0.93
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.93
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

5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 63750874
N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
CID 76952151
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 106836120
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (CID 63751034) is 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)C1CCN(CC)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is IXAGBTJBFCVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-5-20-8-6-11(7-9-20)18(3)14-12(13(15)16)10(2)17-19(14)4/h11H,5-9H2,1-4H3,(H3,15,16).
What are the key properties of 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63751034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).