N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide

C19H16FN3OS — CID 17476126

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16FN3OS/c20-14-6-7-18-16(10-14)17(8-9-25-18)22-19(24)13-11-21-23(12-13)15-4-2-1-3-5-15/h1-7,10-12,17H,8-9H2,(H,22,24)
InChIKeyKRWRYASYNLQHQD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 17476126) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID17476126
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16FN3OS/c20-14-6-7-18-16(10-14)17(8-9-25-18)22-19(24)13-11-21-23(12-13)15-4-2-1-3-5-15/h1-7,10-12,17H,8-9H2,(H,22,24)
InChIKeyKRWRYASYNLQHQD-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide (CID 17476126) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide is O=C(NC1CCSc2ccc(F)cc21)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KRWRYASYNLQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-14-6-7-18-16(10-14)17(8-9-25-18)22-19(24)13-11-21-23(12-13)15-4-2-1-3-5-15/h1-7,10-12,17H,8-9H2,(H,22,24).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 17476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).