5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride

C11H14ClN5 — CID 19382749

IUPAC5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C11H13N5.ClH/c1-7-2-4-8(5-3-7)9-6-10(12)16(15-9)11(13)14;/h2-6H,12H2,1H3,(H3,13,14);1H
InChIKeyAHMKODYCTIJXQZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.60
Rot. Bonds1

About 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride

5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride (PubChem CID 19382749) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
PubChem CID19382749
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nc(-c2ccc(C)cc2)cc1N
InChIInChI=1S/C11H13N5.ClH/c1-7-2-4-8(5-3-7)9-6-10(12)16(15-9)11(13)14;/h2-6H,12H2,1H3,(H3,13,14);1H
InChIKeyAHMKODYCTIJXQZ-UHFFFAOYSA-N
XLogP1.60
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.60
H-Bond Donors ≤ 53
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

5-amino-3-(furan-2-yl)pyrazole-1-carboximidamide;hydrochloride
CID 19382747
1-tert-butyl-3-(4-methylphenyl)pyrazol-5-amine
CID 43436044
5-amino-3-(4-bromophenyl)pyrazole-1-carbothioamide
CID 121216031
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
5-amino-N-nitro-3-phenylpyrazole-1-carboximidamide
CID 137128703
3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
CID 61271886
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026
3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
CID 134374715
1-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)pyrazol-5-amine
CID 62687876
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride (CID 19382749) is 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1nc(-c2ccc(C)cc2)cc1N.
What is the InChIKey of 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is AHMKODYCTIJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.ClH/c1-7-2-4-8(5-3-7)9-6-10(12)16(15-9)11(13)14;/h2-6H,12H2,1H3,(H3,13,14);1H.
What are the key properties of 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride?
5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 19382749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).