3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C15H12Cl2N4 — CID 80522471

IUPAC3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3
InChIKeyDJPPQIQFHZZZNH-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.04
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80522471) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80522471
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3
InChIKeyDJPPQIQFHZZZNH-UHFFFAOYSA-N
XLogP4.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80521367
3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522283
1-methyl-3-(2-methyl-3-pyridinyl)-4-pyridin-3-ylpyrazol-5-amine
CID 80522938
3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522775
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 58958602
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80522471) is 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is DJPPQIQFHZZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 319.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80522471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).