5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C25H18ClFN4O2S — CID 6486849

IUPAC5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H18ClFN4O2S/c1-16-22(23(26)31(29-16)19-6-3-2-4-7-19)24(32)30(14-20-8-5-13-33-20)25-28-21(15-34-25)17-9-11-18(27)12-10-17/h2-13,15H,14H2,1H3
InChIKeyVTJQHSBWGWPMSO-UHFFFAOYSA-N
MW492.96 g/mol
LogP6.54
Rot. Bonds6

About 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 6486849) has the molecular formula C25H18ClFN4O2S and a molecular weight of 492.96 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID6486849
Molecular FormulaC25H18ClFN4O2S
Molecular Weight492.96 g/mol
Exact Mass492.08
IUPAC Name5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H18ClFN4O2S/c1-16-22(23(26)31(29-16)19-6-3-2-4-7-19)24(32)30(14-20-8-5-13-33-20)25-28-21(15-34-25)17-9-11-18(27)12-10-17/h2-13,15H,14H2,1H3
InChIKeyVTJQHSBWGWPMSO-UHFFFAOYSA-N
XLogP6.54
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 6486849) is 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VTJQHSBWGWPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O2S/c1-16-22(23(26)31(29-16)19-6-3-2-4-7-19)24(32)30(14-20-8-5-13-33-20)25-28-21(15-34-25)17-9-11-18(27)12-10-17/h2-13,15H,14H2,1H3.
What are the key properties of 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 492.96 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 6486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).