5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H25FN4O2 — CID 146597666

IUPAC5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C20H25FN4O2/c1-4-11-25-17-10-9-15(12-16(17)18(23-25)20(27)24(2)3)22-19(26)13-5-7-14(21)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,22,26)
InChIKeyVYXYWEODDXYKMZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.42
Rot. Bonds5

About 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 146597666) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID146597666
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C20H25FN4O2/c1-4-11-25-17-10-9-15(12-16(17)18(23-25)20(27)24(2)3)22-19(26)13-5-7-14(21)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,22,26)
InChIKeyVYXYWEODDXYKMZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 146597666) is 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)N(C)C)c2c1CCC(NC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is VYXYWEODDXYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-4-11-25-17-10-9-15(12-16(17)18(23-25)20(27)24(2)3)22-19(26)13-5-7-14(21)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,22,26).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 146597666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).