4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride

C10H10Cl3N3 — CID 122246996

IUPAC4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H9Cl2N3.ClH/c1-5-9(10(13)15-14-5)7-3-2-6(11)4-8(7)12;/h2-4H,1H3,(H3,13,14,15);1H
InChIKeyQEYNXHDXSCVFSS-UHFFFAOYSA-N
MW278.57 g/mol
LogP3.70
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride

4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 122246996) has the molecular formula C10H10Cl3N3 and a molecular weight of 278.57 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID122246996
Molecular FormulaC10H10Cl3N3
Molecular Weight278.57 g/mol
Exact Mass276.99
IUPAC Name4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H9Cl2N3.ClH/c1-5-9(10(13)15-14-5)7-3-2-6(11)4-8(7)12;/h2-4H,1H3,(H3,13,14,15);1H
InChIKeyQEYNXHDXSCVFSS-UHFFFAOYSA-N
XLogP3.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride (CID 122246996) is 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride is Cc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is QEYNXHDXSCVFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3.ClH/c1-5-9(10(13)15-14-5)7-3-2-6(11)4-8(7)12;/h2-4H,1H3,(H3,13,14,15);1H.
What are the key properties of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 278.57 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 122246996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).