N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H29F3N4O — CID 146597639

IUPACN,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NCCc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C22H29F3N4O/c1-4-13-29-19-10-9-17(14-18(19)20(27-29)21(30)28(2)3)26-12-11-15-5-7-16(8-6-15)22(23,24)25/h5-8,17,26H,4,9-14H2,1-3H3
InChIKeyUAJVTCVZRHYCPX-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.70
Rot. Bonds7

About N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 146597639) has the molecular formula C22H29F3N4O and a molecular weight of 422.50 g/mol. Its IUPAC name is N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID146597639
Molecular FormulaC22H29F3N4O
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC NameN,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(NCCc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C22H29F3N4O/c1-4-13-29-19-10-9-17(14-18(19)20(27-29)21(30)28(2)3)26-12-11-15-5-7-16(8-6-15)22(23,24)25/h5-8,17,26H,4,9-14H2,1-3H3
InChIKeyUAJVTCVZRHYCPX-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
5-Fluoro-AB-PINACA
CID 91936927
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
Ab-chfupyca
CID 122213879
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
N-piperidin-4-yl-1-propan-2-ylindazole-3-carboxamide
CID 10493462

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 146597639) is N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)N(C)C)c2c1CCC(NCCc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UAJVTCVZRHYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O/c1-4-13-29-19-10-9-17(14-18(19)20(27-29)21(30)28(2)3)26-12-11-15-5-7-16(8-6-15)22(23,24)25/h5-8,17,26H,4,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 146597639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).