4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine

C15H13Cl2N3O — CID 114821040

IUPAC4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2c(Cl)cccc2Cl)co1
InChIInChI=1S/C15H13Cl2N3O/c1-8-6-9(7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3
InChIKeyQFPRYMFLZUIEGP-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.54
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine

4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 114821040) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
PubChem CID114821040
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2c(Cl)cccc2Cl)co1
InChIInChI=1S/C15H13Cl2N3O/c1-8-6-9(7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3
InChIKeyQFPRYMFLZUIEGP-UHFFFAOYSA-N
XLogP4.54
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
CID 62277257
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
3-(2-bromofuran-3-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
CID 106854540
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 114821385
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
CID 62277454
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 106687598

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine (CID 114821040) is 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2-c2c(Cl)cccc2Cl)co1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is QFPRYMFLZUIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-8-6-9(7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine?
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 322.20 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 114821040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).