(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide

C14H16F2N4 — CID 130340752

IUPAC(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide
SMILESC=Cc1c(/C(F)=C\C)n[nH]c1C(=C)/N=C(N)/C(F)=C\C
InChIInChI=1S/C14H16F2N4/c1-5-9-12(19-20-13(9)10(15)6-2)8(4)18-14(17)11(16)7-3/h5-7H,1,4H2,2-3H3,(H2,17,18)(H,19,20)/b10-6+,11-7+
InChIKeyFNCRKIAHCXYWKF-JMQWPVDRSA-N
MW278.31 g/mol
LogP3.58
Rot. Bonds5

About (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide

(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide (PubChem CID 130340752) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide
PubChem CID130340752
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide
SMILESC=Cc1c(/C(F)=C\C)n[nH]c1C(=C)/N=C(N)/C(F)=C\C
InChIInChI=1S/C14H16F2N4/c1-5-9-12(19-20-13(9)10(15)6-2)8(4)18-14(17)11(16)7-3/h5-7H,1,4H2,2-3H3,(H2,17,18)(H,19,20)/b10-6+,11-7+
InChIKeyFNCRKIAHCXYWKF-JMQWPVDRSA-N
XLogP3.58
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-N-[1-[3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-N'-methylbut-2-enimidamide
CID 130337017
(3E)-3-fluoro-4-[1-[3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]ethylideneamino]buta-1,3-dien-2-amine
CID 137216754
(2Z,5E)-5-[(4,5-dimethyl-1H-pyrazol-3-yl)methylidene]-4-methyl-N'-(methylideneamino)hepta-2,6-dienimidamide
CID 139323763
6-Methyl-1,6-dihydrocyclohepta[d]pyrazole-3-carboximidamide
CID 144714205

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide?
The IUPAC name of (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide (CID 130340752) is (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide.
What is the SMILES notation for (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide?
The canonical SMILES for (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide is C=Cc1c(/C(F)=C\C)n[nH]c1C(=C)/N=C(N)/C(F)=C\C.
What is the InChIKey of (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide?
The InChIKey is FNCRKIAHCXYWKF-JMQWPVDRSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-5-9-12(19-20-13(9)10(15)6-2)8(4)18-14(17)11(16)7-3/h5-7H,1,4H2,2-3H3,(H2,17,18)(H,19,20)/b10-6+,11-7+.
What are the key properties of (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide?
(E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide has a molecular weight of 278.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[1-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-1H-pyrazol-5-yl]ethenyl]-2-fluorobut-2-enimidamide is sourced from PubChem (CID 130340752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).