N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine

C11H14FN3 — CID 156792340

IUPACN-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine
SMILESC=C/N=C/C(=C)c1n[nH]c(C(C)F)c1C
InChIInChI=1S/C11H14FN3/c1-5-13-6-7(2)10-8(3)11(9(4)12)15-14-10/h5-6,9H,1-2H2,3-4H3,(H,14,15)/b13-6+
InChIKeyPLXASZQUIXHHIF-AWNIVKPZSA-N
MW207.25 g/mol
LogP2.98
Rot. Bonds4

About N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine

N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine (PubChem CID 156792340) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine
PubChem CID156792340
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC NameN-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine
SMILESC=C/N=C/C(=C)c1n[nH]c(C(C)F)c1C
InChIInChI=1S/C11H14FN3/c1-5-13-6-7(2)10-8(3)11(9(4)12)15-14-10/h5-6,9H,1-2H2,3-4H3,(H,14,15)/b13-6+
InChIKeyPLXASZQUIXHHIF-AWNIVKPZSA-N
XLogP2.98
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.98
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

(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
ethane;(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine
CID 143061894
N-ethyl-2-[3-[(1E,3E,5Z)-1-fluoroocta-1,3,5-trien-4-yl]-4-methyl-1H-pyrazol-5-yl]-N-methylethanamine
CID 143866595
4-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-fluorobut-2-en-1-amine
CID 153522249
4-(1-fluoroethenyl)-5-(3-methylbut-1-en-2-yl)-1H-pyrazole
CID 171807370
4-butyl-5-(difluoromethyl)-1H-pyrazole
CID 174757592
3-ethenyl-5-fluoro-4-[(3Z)-2-methylhexa-3,5-dien-3-yl]-1H-pyrazole
CID 175616052
(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine
CID 143061895
4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
CID 154537386
3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-en-1-amine
CID 165655149
(2Z,4E)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]hexa-2,4-dien-1-imine
CID 166003644
(E)-5-Isopropyl-3-methyl-4-(prop-1-en-1-yl)-1H-pyrazole
CID 13353372

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine (CID 156792340) is N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine is C=C/N=C/C(=C)c1n[nH]c(C(C)F)c1C.
What is the InChIKey of N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine?
The InChIKey is PLXASZQUIXHHIF-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H14FN3/c1-5-13-6-7(2)10-8(3)11(9(4)12)15-14-10/h5-6,9H,1-2H2,3-4H3,(H,14,15)/b13-6+.
What are the key properties of N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine?
N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine has a molecular weight of 207.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-[5-(1-fluoroethyl)-4-methyl-1H-pyrazol-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 156792340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).