(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C15H16F2N2O2 — CID 115810393

IUPAC(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2O2/c1-8(2)19-14(11(21-4)7-18-19)15(20)12-10(16)6-5-9(3)13(12)17/h5-8H,1-4H3
InChIKeyPPNZWAJMESYUGY-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.29
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 115810393) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID115810393
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2O2/c1-8(2)19-14(11(21-4)7-18-19)15(20)12-10(16)6-5-9(3)13(12)17/h5-8H,1-4H3
InChIKeyPPNZWAJMESYUGY-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642208
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 114641680
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(2,3-dimethylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810444
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197932
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810541
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanone
CID 115810480
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048346

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 115810393) is (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is PPNZWAJMESYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-8(2)19-14(11(21-4)7-18-19)15(20)12-10(16)6-5-9(3)13(12)17/h5-8H,1-4H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 294.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 115810393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).