1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C17H17F3N4O2 — CID 145296858

IUPAC1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(CCC=O)c1)CC2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-13(15(21)26)16-23(6-7-24(16)22-14)10-12-4-1-3-11(9-12)5-2-8-25/h1,3-4,8-9H,2,5-7,10H2,(H2,21,26)
InChIKeyBWNVVKHCKQHZQS-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.15
Rot. Bonds6

About 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 145296858) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID145296858
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(CCC=O)c1)CC2
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-13(15(21)26)16-23(6-7-24(16)22-14)10-12-4-1-3-11(9-12)5-2-8-25/h1,3-4,8-9H,2,5-7,10H2,(H2,21,26)
InChIKeyBWNVVKHCKQHZQS-UHFFFAOYSA-N
XLogP2.15
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 160837474
1-[[3-(2-fluoroethoxymethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 160714950
methyl 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 129030746
4-[1-[[1-[[3-(fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030670
methyl 4-[(1S)-1-[[1-[[3-(fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 129047269
ethyl 6-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 129030879
6-[1-[[6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]pyridine-3-carboxylic acid
CID 129030662
4-[(2R)-4-[1-[[3-[[7-[[(1S)-1-(4-carboxyphenyl)ethyl]carbamoyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]methyl]phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl]-4-oxobutan-2-yl]benzoic acid
CID 159120059
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030872
4-[1-[[6-(1,1-difluoroethyl)-1-[[3-(hydroxymethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethenyl]benzoic acid
CID 166879990
4-[(1S)-1-[[1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030886
N-[1-[4-(cyclopropylsulfanylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 145296822

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 145296858) is 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(CCC=O)c1)CC2.
What is the InChIKey of 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is BWNVVKHCKQHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)14-13(15(21)26)16-23(6-7-24(16)22-14)10-12-4-1-3-11(9-12)5-2-8-25/h1,3-4,8-9H,2,5-7,10H2,(H2,21,26).
What are the key properties of 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-oxopropyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 145296858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).