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

C14H11Cl2N5 — CID 102921972

IUPAC4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C14H11Cl2N5/c1-21-14(17)12(8-2-3-10(15)11(16)4-8)13(20-21)9-5-18-7-19-6-9/h2-7H,17H2,1H3
InChIKeyMLJSGARTWZHAKW-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.43
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (PubChem CID 102921972) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
PubChem CID102921972
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C14H11Cl2N5/c1-21-14(17)12(8-2-3-10(15)11(16)4-8)13(20-21)9-5-18-7-19-6-9/h2-7H,17H2,1H3
InChIKeyMLJSGARTWZHAKW-UHFFFAOYSA-N
XLogP3.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 106687598
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522471
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (CID 102921972) is 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is Cn1nc(-c2cncnc2)c(-c2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The InChIKey is MLJSGARTWZHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-21-14(17)12(8-2-3-10(15)11(16)4-8)13(20-21)9-5-18-7-19-6-9/h2-7H,17H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine has a molecular weight of 320.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is sourced from PubChem (CID 102921972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).