4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine

C14H12ClN5 — CID 104670653

IUPAC4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccnnc2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H12ClN5/c1-20-14(16)12(9-2-4-11(15)5-3-9)13(19-20)10-6-7-17-18-8-10/h2-8H,16H2,1H3
InChIKeyCZDJOHJPTGXZAK-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.78
Rot. Bonds2

About 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine

4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine (PubChem CID 104670653) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
PubChem CID104670653
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccnnc2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H12ClN5/c1-20-14(16)12(9-2-4-11(15)5-3-9)13(19-20)10-6-7-17-18-8-10/h2-8H,16H2,1H3
InChIKeyCZDJOHJPTGXZAK-UHFFFAOYSA-N
XLogP2.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710576
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122906
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
CID 62828575
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522471

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine (CID 104670653) is 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine is Cn1nc(-c2ccnnc2)c(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine?
The InChIKey is CZDJOHJPTGXZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-20-14(16)12(9-2-4-11(15)5-3-9)13(19-20)10-6-7-17-18-8-10/h2-8H,16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine?
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine has a molecular weight of 285.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine is sourced from PubChem (CID 104670653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).