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

C14H10ClF2N3S — CID 80644808

IUPAC3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2sccc2Cl)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H10ClF2N3S/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)13-9(15)4-5-21-13/h2-6H,18H2,1H3
InChIKeyHGIYRCBGDHPEDN-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.33
Rot. Bonds2

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

3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 80644808) has the molecular formula C14H10ClF2N3S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID80644808
Molecular FormulaC14H10ClF2N3S
Molecular Weight325.77 g/mol
Exact Mass325.03
IUPAC Name3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2sccc2Cl)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H10ClF2N3S/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)13-9(15)4-5-21-13/h2-6H,18H2,1H3
InChIKeyHGIYRCBGDHPEDN-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (CID 80644808) is 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2sccc2Cl)c(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is HGIYRCBGDHPEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3S/c1-20-14(18)11(8-3-2-7(16)6-10(8)17)12(19-20)13-9(15)4-5-21-13/h2-6H,18H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 325.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 80644808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).