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

C15H12Cl2N4 — CID 106753135

IUPAC4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C15H12Cl2N4/c1-8-6-9(4-5-19-8)14-13(15(18)21-20-14)11-3-2-10(16)7-12(11)17/h2-7H,1H3,(H3,18,20,21)
InChIKeyNGBWQDVEDIXFKY-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.34
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine (PubChem CID 106753135) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
PubChem CID106753135
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C15H12Cl2N4/c1-8-6-9(4-5-19-8)14-13(15(18)21-20-14)11-3-2-10(16)7-12(11)17/h2-7H,1H3,(H3,18,20,21)
InChIKeyNGBWQDVEDIXFKY-UHFFFAOYSA-N
XLogP4.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821028
4-(2,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753195
4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine
CID 43157641
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64558550
4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803180
5-(2,4-dichlorophenyl)-2-methyl-1H-imidazol-4-amine
CID 82477662
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43805557
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 82883228
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine (CID 106753135) is 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine?
The InChIKey is NGBWQDVEDIXFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-8-6-9(4-5-19-8)14-13(15(18)21-20-14)11-3-2-10(16)7-12(11)17/h2-7H,1H3,(H3,18,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine?
4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine has a molecular weight of 319.20 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 106753135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).