2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol

C14H16F2N2O — CID 170757284

IUPAC2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol
SMILESCc1cnn(Cc2ccc(C(O)C(C)(F)F)cc2)c1
InChIInChI=1S/C14H16F2N2O/c1-10-7-17-18(8-10)9-11-3-5-12(6-4-11)13(19)14(2,15)16/h3-8,13,19H,9H2,1-2H3
InChIKeyGVPUSLJYTJKTCE-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.93
Rot. Bonds4

About 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol

2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol (PubChem CID 170757284) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol
PubChem CID170757284
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol
SMILESCc1cnn(Cc2ccc(C(O)C(C)(F)F)cc2)c1
InChIInChI=1S/C14H16F2N2O/c1-10-7-17-18(8-10)9-11-3-5-12(6-4-11)13(19)14(2,15)16/h3-8,13,19H,9H2,1-2H3
InChIKeyGVPUSLJYTJKTCE-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol?
The IUPAC name of 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol (CID 170757284) is 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol is Cc1cnn(Cc2ccc(C(O)C(C)(F)F)cc2)c1.
What is the InChIKey of 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol?
The InChIKey is GVPUSLJYTJKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-10-7-17-18(8-10)9-11-3-5-12(6-4-11)13(19)14(2,15)16/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol?
2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 170757284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).