3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine

C14H10Cl3N3O — CID 106687598

IUPAC3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)o2)c(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C14H10Cl3N3O/c1-20-14(18)12(7-2-3-8(15)9(16)6-7)13(19-20)10-4-5-11(17)21-10/h2-6H,18H2,1H3
InChIKeyATUFMDKKTUJBDP-UHFFFAOYSA-N
MW342.61 g/mol
LogP4.89
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine

3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine (PubChem CID 106687598) has the molecular formula C14H10Cl3N3O and a molecular weight of 342.61 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
PubChem CID106687598
Molecular FormulaC14H10Cl3N3O
Molecular Weight342.61 g/mol
Exact Mass340.99
IUPAC Name3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)o2)c(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C14H10Cl3N3O/c1-20-14(18)12(7-2-3-8(15)9(16)6-7)13(19-20)10-4-5-11(17)21-10/h2-6H,18H2,1H3
InChIKeyATUFMDKKTUJBDP-UHFFFAOYSA-N
XLogP4.89
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62831180
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine (CID 106687598) is 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)o2)c(-c2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is ATUFMDKKTUJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O/c1-20-14(18)12(7-2-3-8(15)9(16)6-7)13(19-20)10-4-5-11(17)21-10/h2-6H,18H2,1H3.
What are the key properties of 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine?
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 342.61 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 106687598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).