methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate

C18H14ClF4N3O4S — CID 19413797

IUPACmethyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C18H14ClF4N3O4S/c1-7-5-9(18(28)29-2)17(31-7)24-16(27)10-4-3-8(30-10)6-26-13(15(22)23)11(19)12(25-26)14(20)21/h3-5,14-15H,6H2,1-2H3,(H,24,27)
InChIKeySQSVEDAUAUGLJV-UHFFFAOYSA-N
MW479.84 g/mol
LogP5.46
Rot. Bonds7

About methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate

methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 19413797) has the molecular formula C18H14ClF4N3O4S and a molecular weight of 479.84 g/mol. Its IUPAC name is methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID19413797
Molecular FormulaC18H14ClF4N3O4S
Molecular Weight479.84 g/mol
Exact Mass479.03
IUPAC Namemethyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C18H14ClF4N3O4S/c1-7-5-9(18(28)29-2)17(31-7)24-16(27)10-4-3-8(30-10)6-26-13(15(22)23)11(19)12(25-26)14(20)21/h3-5,14-15H,6H2,1-2H3,(H,24,27)
InChIKeySQSVEDAUAUGLJV-UHFFFAOYSA-N
XLogP5.46
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 19413957
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19468243
propyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19468264
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19413883
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-cyanophenyl)furan-2-carboxamide
CID 19413858
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19413942
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413105
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19413856
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19413869
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19468194
3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19413895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate (CID 19413797) is methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1.
What is the InChIKey of methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is SQSVEDAUAUGLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N3O4S/c1-7-5-9(18(28)29-2)17(31-7)24-16(27)10-4-3-8(30-10)6-26-13(15(22)23)11(19)12(25-26)14(20)21/h3-5,14-15H,6H2,1-2H3,(H,24,27).
What are the key properties of methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 479.84 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19413797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).