N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H19FN4O2 — CID 134042509

IUPACN-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C21H19FN4O2/c22-13-9-11-14(12-10-13)26-18-8-4-2-6-16(18)19(25-26)21(28)24-17-7-3-1-5-15(17)20(23)27/h1,3,5,7,9-12H,2,4,6,8H2,(H2,23,27)(H,24,28)
InChIKeyDISZUNWXRFLYOX-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.24
Rot. Bonds4

About N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 134042509) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID134042509
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C21H19FN4O2/c22-13-9-11-14(12-10-13)26-18-8-4-2-6-16(18)19(25-26)21(28)24-17-7-3-1-5-15(17)20(23)27/h1,3,5,7,9-12H,2,4,6,8H2,(H2,23,27)(H,24,28)
InChIKeyDISZUNWXRFLYOX-UHFFFAOYSA-N
XLogP3.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
N-(3-carbamoyl-4-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30806254
N-[2-(difluoromethylsulfonyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55539108
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
N-(3-carbamoyl-4-chlorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46570664
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17468069
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
1-(2,3-dimethylphenyl)-3-[[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]thiourea
CID 26030593
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 134042509) is N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is NC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is DISZUNWXRFLYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-13-9-11-14(12-10-13)26-18-8-4-2-6-16(18)19(25-26)21(28)24-17-7-3-1-5-15(17)20(23)27/h1,3,5,7,9-12H,2,4,6,8H2,(H2,23,27)(H,24,28).
What are the key properties of N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 134042509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).