N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide

C18H15F2N3OS — CID 45184368

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C18H15F2N3OS/c19-12-4-5-17(14(20)8-12)23-16-3-1-2-15(13(16)9-21-23)22-18(24)11-6-7-25-10-11/h4-10,15H,1-3H2,(H,22,24)
InChIKeyYXEGCRKDGVHYMZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.02
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide (PubChem CID 45184368) has the molecular formula C18H15F2N3OS and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
PubChem CID45184368
Molecular FormulaC18H15F2N3OS
Molecular Weight359.40 g/mol
Exact Mass359.09
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C18H15F2N3OS/c19-12-4-5-17(14(20)8-12)23-16-3-1-2-15(13(16)9-21-23)22-18(24)11-6-7-25-10-11/h4-10,15H,1-3H2,(H,22,24)
InChIKeyYXEGCRKDGVHYMZ-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide (CID 45184368) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide is O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccsc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide?
The InChIKey is YXEGCRKDGVHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS/c19-12-4-5-17(14(20)8-12)23-16-3-1-2-15(13(16)9-21-23)22-18(24)11-6-7-25-10-11/h4-10,15H,1-3H2,(H,22,24).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45184368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).