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

C18H15F2N3OS — CID 46916321

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C18H15F2N3OS/c19-11-6-7-16(13(20)9-11)23-15-4-1-3-14(12(15)10-21-23)22-18(24)17-5-2-8-25-17/h2,5-10,14H,1,3-4H2,(H,22,24)
InChIKeyOSZKBAINWHIPLR-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.02
Rot. Bonds3

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

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (PubChem CID 46916321) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
PubChem CID46916321
Molecular FormulaC18H15F2N3OS
Molecular Weight359.40 g/mol
Exact Mass359.09
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C18H15F2N3OS/c19-11-6-7-16(13(20)9-11)23-15-4-1-3-14(12(15)10-21-23)22-18(24)17-5-2-8-25-17/h2,5-10,14H,1,3-4H2,(H,22,24)
InChIKeyOSZKBAINWHIPLR-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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Related Compounds

Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
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CID 156155305
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
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N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
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CID 46916310
4-[5-(2-chloroanilino)-6-fluoroindazol-1-yl]-N-methylthiophene-2-carboxamide
CID 156155311
4-[5-(2-chloroanilino)-6-fluoroindazol-1-yl]-N-propan-2-ylthiophene-2-carboxamide
CID 156155358
4-[5-(2-chloro-6-fluoroanilino)-6-fluoroindazol-1-yl]-N-methylthiophene-2-carboxamide
CID 156155399

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (CID 46916321) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The InChIKey is OSZKBAINWHIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS/c19-11-6-7-16(13(20)9-11)23-15-4-1-3-14(12(15)10-21-23)22-18(24)17-5-2-8-25-17/h2,5-10,14H,1,3-4H2,(H,22,24).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 46916321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).