N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine

C7H8FN3 — CID 130344287

IUPACN-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine
SMILESC=Nc1cn[nH]c1/C=C(\C)F
InChIInChI=1S/C7H8FN3/c1-5(8)3-6-7(9-2)4-10-11-6/h3-4H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyJUCSQOKBTQYLHR-HWKANZROSA-N
MW153.16 g/mol
LogP2.07
Rot. Bonds2

About N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine

N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine (PubChem CID 130344287) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine.

Molecular Properties

Compound NameN-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine
PubChem CID130344287
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC NameN-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine
SMILESC=Nc1cn[nH]c1/C=C(\C)F
InChIInChI=1S/C7H8FN3/c1-5(8)3-6-7(9-2)4-10-11-6/h3-4H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyJUCSQOKBTQYLHR-HWKANZROSA-N
XLogP2.07
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine
CID 156718810
5-ethenyl-4-prop-1-en-2-yl-1H-pyrazole
CID 143124690
5-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-1H-pyrazole;ethane
CID 177158816
5-[(1Z)-2-methylbuta-1,3-dienyl]-4-methylsulfanyl-1H-pyrazole
CID 143084168
5-[(Z)-prop-1-enyl]-4-prop-1-en-2-yl-1H-pyrazole
CID 155741579
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-pyrazole;ethane
CID 143334506
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
CID 138671207
N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
CID 123664666
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
CID 174193718
N-(4-iodo-1H-pyrazol-5-yl)acetamide
CID 86717260

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine?
The IUPAC name of N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine (CID 130344287) is N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine.
What is the SMILES notation for N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine?
The canonical SMILES for N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine is C=Nc1cn[nH]c1/C=C(\C)F.
What is the InChIKey of N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine?
The InChIKey is JUCSQOKBTQYLHR-HWKANZROSA-N. The full InChI is InChI=1S/C7H8FN3/c1-5(8)3-6-7(9-2)4-10-11-6/h3-4H,2H2,1H3,(H,10,11)/b5-3+.
What are the key properties of N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine?
N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine has a molecular weight of 153.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine is sourced from PubChem (CID 130344287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).