3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride

C10H13Cl2N5 — CID 19382678

IUPAC3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)n1ccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H11N5.2ClH/c11-8-3-1-7(2-4-8)9-5-6-15(14-9)10(12)13;;/h1-6H,11H2,(H3,12,13);2*1H
InChIKeyHRRDOFFKBTXHAI-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.72
Rot. Bonds1

About 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride

3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride (PubChem CID 19382678) has the molecular formula C10H13Cl2N5 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
PubChem CID19382678
Molecular FormulaC10H13Cl2N5
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)n1ccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H11N5.2ClH/c11-8-3-1-7(2-4-8)9-5-6-15(14-9)10(12)13;;/h1-6H,11H2,(H3,12,13);2*1H
InChIKeyHRRDOFFKBTXHAI-UHFFFAOYSA-N
XLogP1.72
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
CID 19382749
4-[6-(4-aminophenyl)pyridazin-3-yl]aniline
CID 139699068
3-methyl-4-phenylpyrazole-1-carboximidamide
CID 141222315
tert-butyl 1-carbamimidoylpyrazole-3-carboxylate
CID 67025774
triazole-1-carboximidamide;hydrochloride
CID 18519220
6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 70448780
4-[[3-(4-chlorophenyl)pyrazol-1-yl]methyl]aniline
CID 142784777
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
N-imino-N',3-diphenylpyrazole-1-carboximidamide
CID 90157706
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
3-(2,2-dimethylhexanoyl)pyrazole-1-carboximidamide
CID 67747749
4-(2-methyltriazol-4-yl)aniline
CID 21395791

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride?
The IUPAC name of 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride (CID 19382678) is 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride?
The canonical SMILES for 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)n1ccc(-c2ccc(N)cc2)n1.
What is the InChIKey of 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride?
The InChIKey is HRRDOFFKBTXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.2ClH/c11-8-3-1-7(2-4-8)9-5-6-15(14-9)10(12)13;;/h1-6H,11H2,(H3,12,13);2*1H.
What are the key properties of 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride?
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride has a molecular weight of 274.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 19382678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).