5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H23FN4O — CID 45165291

IUPAC5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC(NC1CC1)C2
InChIInChI=1S/C19H23FN4O/c1-24-17-9-8-15(22-14-6-7-14)10-16(17)18(23-24)19(25)21-11-12-2-4-13(20)5-3-12/h2-5,14-15,22H,6-11H2,1H3,(H,21,25)
InChIKeyQUQVTQNQYKIJGY-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.10
Rot. Bonds5

About 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165291) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165291
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC(NC1CC1)C2
InChIInChI=1S/C19H23FN4O/c1-24-17-9-8-15(22-14-6-7-14)10-16(17)18(23-24)19(25)21-11-12-2-4-13(20)5-3-12/h2-5,14-15,22H,6-11H2,1H3,(H,21,25)
InChIKeyQUQVTQNQYKIJGY-UHFFFAOYSA-N
XLogP2.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165457
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-benzyl-5-(cyclopropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164837
5-[(4-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162389
1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165418
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066677
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164567
(5R)-N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[4-(dimethylcarbamoyl)phenyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 177302840
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162893

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165291) is 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC(NC1CC1)C2.
What is the InChIKey of 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is QUQVTQNQYKIJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-24-17-9-8-15(22-14-6-7-14)10-16(17)18(23-24)19(25)21-11-12-2-4-13(20)5-3-12/h2-5,14-15,22H,6-11H2,1H3,(H,21,25).
What are the key properties of 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).