2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride

C7H11Cl2N5 — CID 70591661

IUPAC2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1C1=NCCN1N
InChIInChI=1S/C7H10ClN5.ClH/c1-12-6(5(8)4-11-12)7-10-2-3-13(7)9;/h4H,2-3,9H2,1H3;1H
InChIKeyFMWZTPHAGLTJKK-UHFFFAOYSA-N
MW236.11 g/mol
LogP0.43
Rot. Bonds1

About 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride

2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride (PubChem CID 70591661) has the molecular formula C7H11Cl2N5 and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride
PubChem CID70591661
Molecular FormulaC7H11Cl2N5
Molecular Weight236.11 g/mol
Exact Mass235.04
IUPAC Name2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1C1=NCCN1N
InChIInChI=1S/C7H10ClN5.ClH/c1-12-6(5(8)4-11-12)7-10-2-3-13(7)9;/h4H,2-3,9H2,1H3;1H
InChIKeyFMWZTPHAGLTJKK-UHFFFAOYSA-N
XLogP0.43
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride (CID 70591661) is 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride is Cl.Cn1ncc(Cl)c1C1=NCCN1N.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride?
The InChIKey is FMWZTPHAGLTJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5.ClH/c1-12-6(5(8)4-11-12)7-10-2-3-13(7)9;/h4H,2-3,9H2,1H3;1H.
What are the key properties of 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride?
2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride has a molecular weight of 236.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-amine;hydrochloride is sourced from PubChem (CID 70591661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).