N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C14H16F3N5O — CID 136554386

IUPACN-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1cnn2c1CCC2
InChIInChI=1S/C14H16F3N5O/c1-20(8-12-18-4-6-21(12)9-14(15,16)17)13(23)10-7-19-22-5-2-3-11(10)22/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyFZVGLWNUKFBRTQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 136554386) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID136554386
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1cnn2c1CCC2
InChIInChI=1S/C14H16F3N5O/c1-20(8-12-18-4-6-21(12)9-14(15,16)17)13(23)10-7-19-22-5-2-3-11(10)22/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyFZVGLWNUKFBRTQ-UHFFFAOYSA-N
XLogP1.86
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
CID 56509575
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CID 98760974
(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
CID 138000209
4-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]carbamoyl]phenoxy]benzamide
CID 56551219
2-(3-bromophenoxy)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56508797
N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56509317
N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 56521672
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide
CID 120941000
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide
CID 56509966
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509566
5-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120899856

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 136554386) is N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is CN(Cc1nccn1CC(F)(F)F)C(=O)c1cnn2c1CCC2.
What is the InChIKey of N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is FZVGLWNUKFBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-20(8-12-18-4-6-21(12)9-14(15,16)17)13(23)10-7-19-22-5-2-3-11(10)22/h4,6-7H,2-3,5,8-9H2,1H3.
What are the key properties of N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 136554386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).