5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C21H14Cl2F5N5O2 — CID 19413869

IUPAC5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C21H14Cl2F5N5O2/c22-13-9-32(7-10-2-1-3-11(24)6-10)31-20(13)29-21(34)14-5-4-12(35-14)8-33-17(19(27)28)15(23)16(30-33)18(25)26/h1-6,9,18-19H,7-8H2,(H,29,31,34)
InChIKeyRSMAGVQXNLWLPD-UHFFFAOYSA-N
MW534.27 g/mol
LogP6.34
Rot. Bonds8

About 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19413869) has the molecular formula C21H14Cl2F5N5O2 and a molecular weight of 534.27 g/mol. Its IUPAC name is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID19413869
Molecular FormulaC21H14Cl2F5N5O2
Molecular Weight534.27 g/mol
Exact Mass533.04
IUPAC Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C21H14Cl2F5N5O2/c22-13-9-32(7-10-2-1-3-11(24)6-10)31-20(13)29-21(34)14-5-4-12(35-14)8-33-17(19(27)28)15(23)16(30-33)18(25)26/h1-6,9,18-19H,7-8H2,(H,29,31,34)
InChIKeyRSMAGVQXNLWLPD-UHFFFAOYSA-N
XLogP6.34
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.27
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416061
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
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19402750
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 19413957
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-cyanophenyl)furan-2-carboxamide
CID 19413858
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454868
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 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) is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1.
What is the InChIKey of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is RSMAGVQXNLWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F5N5O2/c22-13-9-32(7-10-2-1-3-11(24)6-10)31-20(13)29-21(34)14-5-4-12(35-14)8-33-17(19(27)28)15(23)16(30-33)18(25)26/h1-6,9,18-19H,7-8H2,(H,29,31,34).
What are the key properties of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 534.27 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19413869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).