(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole

C15H23FN2 — CID 146550395

IUPAC(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1/cnn(CC(C)(C)C)/c1=C/CCF
InChIInChI=1S/C15H23FN2/c1-12(2)9-13-10-17-18(11-15(3,4)5)14(13)7-6-8-16/h7,9-10H,1,6,8,11H2,2-5H3/b13-9-,14-7+
InChIKeyLHDSASSHXPJQOK-YGTYLERISA-N
MW250.36 g/mol
LogP2.43
Rot. Bonds4

About (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole (PubChem CID 146550395) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
PubChem CID146550395
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1/cnn(CC(C)(C)C)/c1=C/CCF
InChIInChI=1S/C15H23FN2/c1-12(2)9-13-10-17-18(11-15(3,4)5)14(13)7-6-8-16/h7,9-10H,1,6,8,11H2,2-5H3/b13-9-,14-7+
InChIKeyLHDSASSHXPJQOK-YGTYLERISA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole?
The IUPAC name of (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole (CID 146550395) is (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole.
What is the SMILES notation for (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole?
The canonical SMILES for (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole is C=C(C)/C=c1/cnn(CC(C)(C)C)/c1=C/CCF.
What is the InChIKey of (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole?
The InChIKey is LHDSASSHXPJQOK-YGTYLERISA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)9-13-10-17-18(11-15(3,4)5)14(13)7-6-8-16/h7,9-10H,1,6,8,11H2,2-5H3/b13-9-,14-7+.
What are the key properties of (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole?
(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole has a molecular weight of 250.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole is sourced from PubChem (CID 146550395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).