1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide

C11H19N5 — CID 63751697

IUPAC1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1C
InChIInChI=1S/C11H19N5/c1-7-5-4-6-16(7)11-9(10(12)13)8(2)14-15(11)3/h7H,4-6H2,1-3H3,(H3,12,13)
InChIKeyONVPLCYKOOTHPA-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.00
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide

1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide (PubChem CID 63751697) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
PubChem CID63751697
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1C
InChIInChI=1S/C11H19N5/c1-7-5-4-6-16(7)11-9(10(12)13)8(2)14-15(11)3/h7H,4-6H2,1-3H3,(H3,12,13)
InChIKeyONVPLCYKOOTHPA-UHFFFAOYSA-N
XLogP1.00
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide (CID 63751697) is 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1C.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide?
The InChIKey is ONVPLCYKOOTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-5-4-6-16(7)11-9(10(12)13)8(2)14-15(11)3/h7H,4-6H2,1-3H3,(H3,12,13).
What are the key properties of 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide?
1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide has a molecular weight of 221.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide is sourced from PubChem (CID 63751697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).