3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine

C14H10Cl3N3S — CID 62277257

IUPAC3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)s2)c(-c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C14H10Cl3N3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)16)13(19-20)9-5-6-10(17)21-9/h2-6H,18H2,1H3
InChIKeyANSANLCVXUSBGA-UHFFFAOYSA-N
MW358.68 g/mol
LogP5.36
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine

3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine (PubChem CID 62277257) has the molecular formula C14H10Cl3N3S and a molecular weight of 358.68 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
PubChem CID62277257
Molecular FormulaC14H10Cl3N3S
Molecular Weight358.68 g/mol
Exact Mass356.97
IUPAC Name3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)s2)c(-c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C14H10Cl3N3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)16)13(19-20)9-5-6-10(17)21-9/h2-6H,18H2,1H3
InChIKeyANSANLCVXUSBGA-UHFFFAOYSA-N
XLogP5.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine (CID 62277257) is 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)s2)c(-c2c(Cl)cccc2Cl)c1N.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is ANSANLCVXUSBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3S/c1-20-14(18)12(11-7(15)3-2-4-8(11)16)13(19-20)9-5-6-10(17)21-9/h2-6H,18H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine?
3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 358.68 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 62277257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).