5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H17ClF2N4O3S — CID 19448515

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)o2)c(C)c1Cl
InChIInChI=1S/C21H17ClF2N4O3S/c1-11-18(22)12(2)28(27-11)9-15-7-8-17(30-15)19(29)26-21-25-16(10-32-21)13-3-5-14(6-4-13)31-20(23)24/h3-8,10,20H,9H2,1-2H3,(H,25,26,29)
InChIKeyGONRZJLJOSUAOA-UHFFFAOYSA-N
MW478.91 g/mol
LogP5.77
Rot. Bonds7

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 19448515) has the molecular formula C21H17ClF2N4O3S and a molecular weight of 478.91 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID19448515
Molecular FormulaC21H17ClF2N4O3S
Molecular Weight478.91 g/mol
Exact Mass478.07
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)o2)c(C)c1Cl
InChIInChI=1S/C21H17ClF2N4O3S/c1-11-18(22)12(2)28(27-11)9-15-7-8-17(30-15)19(29)26-21-25-16(10-32-21)13-3-5-14(6-4-13)31-20(23)24/h3-8,10,20H,9H2,1-2H3,(H,25,26,29)
InChIKeyGONRZJLJOSUAOA-UHFFFAOYSA-N
XLogP5.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 19448515) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is GONRZJLJOSUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N4O3S/c1-11-18(22)12(2)28(27-11)9-15-7-8-17(30-15)19(29)26-21-25-16(10-32-21)13-3-5-14(6-4-13)31-20(23)24/h3-8,10,20H,9H2,1-2H3,(H,25,26,29).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 478.91 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19448515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).