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

C12H21N5 — CID 63752202

IUPAC1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC(C)C1
InChIInChI=1S/C12H21N5/c1-8-5-4-6-17(7-8)12-10(11(13)14)9(2)15-16(12)3/h8H,4-7H2,1-3H3,(H3,13,14)
InChIKeyCXBISKCKDVQPCS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.25
Rot. Bonds2

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

1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide (PubChem CID 63752202) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
PubChem CID63752202
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC(C)C1
InChIInChI=1S/C12H21N5/c1-8-5-4-6-17(7-8)12-10(11(13)14)9(2)15-16(12)3/h8H,4-7H2,1-3H3,(H3,13,14)
InChIKeyCXBISKCKDVQPCS-UHFFFAOYSA-N
XLogP1.25
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.25
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-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide (CID 63752202) is 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCCC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide?
The InChIKey is CXBISKCKDVQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-5-4-6-17(7-8)12-10(11(13)14)9(2)15-16(12)3/h8H,4-7H2,1-3H3,(H3,13,14).
What are the key properties of 1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide?
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.25, 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-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide is sourced from PubChem (CID 63752202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).