1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole

C15H24F2N4 — CID 169237555

IUPAC1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C(F)F)n1.CCn1ccc(C(C)C)n1
InChIInChI=1S/C8H14N2.C7H10F2N2/c1-4-10-6-5-8(9-10)7(2)3;1-5(2)6-3-4-11(10-6)7(8)9/h5-7H,4H2,1-3H3;3-5,7H,1-2H3
InChIKeyRLIUKICVAVNLDD-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.43
Rot. Bonds4

About 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole

1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole (PubChem CID 169237555) has the molecular formula C15H24F2N4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole
PubChem CID169237555
Molecular FormulaC15H24F2N4
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC Name1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C(F)F)n1.CCn1ccc(C(C)C)n1
InChIInChI=1S/C8H14N2.C7H10F2N2/c1-4-10-6-5-8(9-10)7(2)3;1-5(2)6-3-4-11(10-6)7(8)9/h5-7H,4H2,1-3H3;3-5,7H,1-2H3
InChIKeyRLIUKICVAVNLDD-UHFFFAOYSA-N
XLogP4.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143299826
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CID 122705387
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CID 129418649
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CID 135280626
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CID 130496141
1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole
CID 166088478
1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
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CID 66014343

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole?
The IUPAC name of 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole (CID 169237555) is 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole is CC(C)c1ccn(C(F)F)n1.CCn1ccc(C(C)C)n1.
What is the InChIKey of 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole?
The InChIKey is RLIUKICVAVNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H10F2N2/c1-4-10-6-5-8(9-10)7(2)3;1-5(2)6-3-4-11(10-6)7(8)9/h5-7H,4H2,1-3H3;3-5,7H,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole?
1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole has a molecular weight of 298.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 169237555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).