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

C20H27FN4O — CID 45160790

IUPAC5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NCc1ccc(F)cc1)C2
InChIInChI=1S/C20H27FN4O/c1-4-11-25-18-10-9-16(22-13-14-5-7-15(21)8-6-14)12-17(18)19(23-25)20(26)24(2)3/h5-8,16,22H,4,9-13H2,1-3H3
InChIKeyPAPJMRCXQLSVQT-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.78
Rot. Bonds6

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

5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45160790) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45160790
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NCc1ccc(F)cc1)C2
InChIInChI=1S/C20H27FN4O/c1-4-11-25-18-10-9-16(22-13-14-5-7-15(21)8-6-14)12-17(18)19(23-25)20(26)24(2)3/h5-8,16,22H,4,9-13H2,1-3H3
InChIKeyPAPJMRCXQLSVQT-UHFFFAOYSA-N
XLogP2.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.78
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-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45160790) is 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)N(C)C)c2c1CCC(NCc1ccc(F)cc1)C2.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is PAPJMRCXQLSVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-4-11-25-18-10-9-16(22-13-14-5-7-15(21)8-6-14)12-17(18)19(23-25)20(26)24(2)3/h5-8,16,22H,4,9-13H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45160790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).