5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

C13H15Cl2N3 — CID 114079798

IUPAC5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(-c2cccc(Cl)c2Cl)[nH]n1
InChIInChI=1S/C13H15Cl2N3/c1-8(2)7-16-12-6-11(17-18-12)9-4-3-5-10(14)13(9)15/h3-6,8H,7H2,1-2H3,(H2,16,17,18)
InChIKeyQGKOGBBPDGDAMI-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.45
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 114079798) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID114079798
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(-c2cccc(Cl)c2Cl)[nH]n1
InChIInChI=1S/C13H15Cl2N3/c1-8(2)7-16-12-6-11(17-18-12)9-4-3-5-10(14)13(9)15/h3-6,8H,7H2,1-2H3,(H2,16,17,18)
InChIKeyQGKOGBBPDGDAMI-UHFFFAOYSA-N
XLogP4.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 114079798) is 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)CNc1cc(-c2cccc(Cl)c2Cl)[nH]n1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is QGKOGBBPDGDAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8(2)7-16-12-6-11(17-18-12)9-4-3-5-10(14)13(9)15/h3-6,8H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 284.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114079798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).