N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C20H18FN3OS — CID 20964624

IUPACN-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)NCc3ccc(F)cc3)nn1C)CS2
InChIInChI=1S/C20H18FN3OS/c1-12-3-8-17-15(9-12)19-16(11-26-17)18(23-24(19)2)20(25)22-10-13-4-6-14(21)7-5-13/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyFZPAVWZVRAUXIZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.07
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 20964624) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID20964624
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)NCc3ccc(F)cc3)nn1C)CS2
InChIInChI=1S/C20H18FN3OS/c1-12-3-8-17-15(9-12)19-16(11-26-17)18(23-24(19)2)20(25)22-10-13-4-6-14(21)7-5-13/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyFZPAVWZVRAUXIZ-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000456
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
N-[(4-fluorophenyl)methyl]-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide
CID 5235416
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799910
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 20964624) is N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cc1ccc2c(c1)-c1c(c(C(=O)NCc3ccc(F)cc3)nn1C)CS2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FZPAVWZVRAUXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-12-3-8-17-15(9-12)19-16(11-26-17)18(23-24(19)2)20(25)22-10-13-4-6-14(21)7-5-13/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 20964624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).