2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol

C14H17F2N3O — CID 104860544

IUPAC2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17F2N3O/c1-11(17-9-14(15,16)10-20)12-7-18-19(8-12)13-5-3-2-4-6-13/h2-8,11,17,20H,9-10H2,1H3
InChIKeyYWTCEWKLFCPVPD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.15
Rot. Bonds6

About 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol

2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol (PubChem CID 104860544) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
PubChem CID104860544
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17F2N3O/c1-11(17-9-14(15,16)10-20)12-7-18-19(8-12)13-5-3-2-4-6-13/h2-8,11,17,20H,9-10H2,1H3
InChIKeyYWTCEWKLFCPVPD-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol (CID 104860544) is 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol is CC(NCC(F)(F)CO)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
The InChIKey is YWTCEWKLFCPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-11(17-9-14(15,16)10-20)12-7-18-19(8-12)13-5-3-2-4-6-13/h2-8,11,17,20H,9-10H2,1H3.
What are the key properties of 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol?
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol has a molecular weight of 281.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 104860544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).