N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide

C18H20F2N4O — CID 177025891

IUPACN-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide
SMILESCN/C(=C\CC1CC1)NC(=O)Cc1ccn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O/c1-21-17(7-4-12-2-3-12)22-18(25)10-13-8-9-24(23-13)14-5-6-15(19)16(20)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,22,25)/b17-7+
InChIKeyOUFKPPWAAQLMIC-REZTVBANSA-N
MW346.38 g/mol
LogP2.67
Rot. Bonds7

About N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide

N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 177025891) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide
PubChem CID177025891
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide
SMILESCN/C(=C\CC1CC1)NC(=O)Cc1ccn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O/c1-21-17(7-4-12-2-3-12)22-18(25)10-13-8-9-24(23-13)14-5-6-15(19)16(20)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,22,25)/b17-7+
InChIKeyOUFKPPWAAQLMIC-REZTVBANSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818186
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
CID 71998650
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 177025869
2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide
CID 176713732
cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 167806359
1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone;propanedioic acid
CID 126649692
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 177025858
(E)-but-2-enedioic acid;1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone
CID 126649656
1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;ethane
CID 142375217
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400116
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide (CID 177025891) is N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide is CN/C(=C\CC1CC1)NC(=O)Cc1ccn(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is OUFKPPWAAQLMIC-REZTVBANSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-21-17(7-4-12-2-3-12)22-18(25)10-13-8-9-24(23-13)14-5-6-15(19)16(20)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,22,25)/b17-7+.
What are the key properties of N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide?
N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyclopropyl-1-(methylamino)prop-1-enyl]-2-[1-(3,4-difluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 177025891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).