N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine

C15H16FN3 — CID 135036714

IUPACN-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine
SMILESCC(C)=CCn1nccc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C15H16FN3/c1-12(2)8-10-19-15(7-9-18-19)11-17-14-5-3-13(16)4-6-14/h3-9,11H,10H2,1-2H3/b17-11+
InChIKeyDPXNXPVOBDQUJO-GZTJUZNOSA-N
MW257.31 g/mol
LogP3.74
Rot. Bonds4

About N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine

N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine (PubChem CID 135036714) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine
PubChem CID135036714
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC NameN-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine
SMILESCC(C)=CCn1nccc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C15H16FN3/c1-12(2)8-10-19-15(7-9-18-19)11-17-14-5-3-13(16)4-6-14/h3-9,11H,10H2,1-2H3/b17-11+
InChIKeyDPXNXPVOBDQUJO-GZTJUZNOSA-N
XLogP3.74
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-Methyl-1H-indazole
CID 139456
1-Phenyl-3-(trichloromethyl)pyrazole
CID 297290
1-Benzyl-1H-pyrazole
CID 3546441
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine (CID 135036714) is N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine is CC(C)=CCn1nccc1/C=N/c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine?
The InChIKey is DPXNXPVOBDQUJO-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16FN3/c1-12(2)8-10-19-15(7-9-18-19)11-17-14-5-3-13(16)4-6-14/h3-9,11H,10H2,1-2H3/b17-11+.
What are the key properties of N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine?
N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine has a molecular weight of 257.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimine is sourced from PubChem (CID 135036714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).