6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride

C11H15Cl2N5 — CID 47002494

IUPAC6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C11H13N5.2ClH/c1-7-5-8(2)16(15-7)10-4-3-9(6-14-10)11(12)13;;/h3-6H,1-2H3,(H3,12,13);2*1H
InChIKeyOEZRLTFNNUKHNB-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.01
Rot. Bonds2

About 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride

6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride (PubChem CID 47002494) has the molecular formula C11H15Cl2N5 and a molecular weight of 288.18 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
PubChem CID47002494
Molecular FormulaC11H15Cl2N5
Molecular Weight288.18 g/mol
Exact Mass287.07
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C11H13N5.2ClH/c1-7-5-8(2)16(15-7)10-4-3-9(6-14-10)11(12)13;;/h3-6H,1-2H3,(H3,12,13);2*1H
InChIKeyOEZRLTFNNUKHNB-UHFFFAOYSA-N
XLogP2.01
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.01
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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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 43658360
5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 115489724
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
(2-oxo-2-propan-2-yloxyethyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704824
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride (CID 47002494) is 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride?
The InChIKey is OEZRLTFNNUKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.2ClH/c1-7-5-8(2)16(15-7)10-4-3-9(6-14-10)11(12)13;;/h3-6H,1-2H3,(H3,12,13);2*1H.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride?
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride has a molecular weight of 288.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride is sourced from PubChem (CID 47002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).