N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C20H18FN3OS — CID 20964643

IUPACN-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)N(C)c3ccccc3F)nn1C)CS2
InChIInChI=1S/C20H18FN3OS/c1-12-8-9-17-13(10-12)19-14(11-26-17)18(22-24(19)3)20(25)23(2)16-7-5-4-6-15(16)21/h4-10H,11H2,1-3H3
InChIKeyJBZQAPNFKXNCPP-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.42
Rot. Bonds2

About N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 20964643) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID20964643
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)N(C)c3ccccc3F)nn1C)CS2
InChIInChI=1S/C20H18FN3OS/c1-12-8-9-17-13(10-12)19-14(11-26-17)18(22-24(19)3)20(25)23(2)16-7-5-4-6-15(16)21/h4-10H,11H2,1-3H3
InChIKeyJBZQAPNFKXNCPP-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 20964643) is N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cc1ccc2c(c1)-c1c(c(C(=O)N(C)c3ccccc3F)nn1C)CS2.
What is the InChIKey of N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is JBZQAPNFKXNCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-12-8-9-17-13(10-12)19-14(11-26-17)18(22-24(19)3)20(25)23(2)16-7-5-4-6-15(16)21/h4-10H,11H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 20964643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).