N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide

C20H15FN4O2S — CID 1490028

IUPACN-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide
SMILESCOc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-8-4-13(5-9-16)17-10-19(22-12-26)25(24-17)20-23-18(11-28-20)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,22,26)
InChIKeyOJWPPVMPHNDQLB-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.38
Rot. Bonds6

About N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide

N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide (PubChem CID 1490028) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide
PubChem CID1490028
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide
SMILESCOc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-8-4-13(5-9-16)17-10-19(22-12-26)25(24-17)20-23-18(11-28-20)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,22,26)
InChIKeyOJWPPVMPHNDQLB-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The IUPAC name of N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide (CID 1490028) is N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide is COc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1.
What is the InChIKey of N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The InChIKey is OJWPPVMPHNDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-16-8-4-13(5-9-16)17-10-19(22-12-26)25(24-17)20-23-18(11-28-20)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,22,26).
What are the key properties of N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide?
N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide has a molecular weight of 394.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]formamide is sourced from PubChem (CID 1490028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).