1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol

C16H21F2N3O — CID 110011198

IUPAC1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCc1c(C(C)NC(C)C(O)c2ccc(F)c(F)c2)cnn1C
InChIInChI=1S/C16H21F2N3O/c1-9(13-8-19-21(4)11(13)3)20-10(2)16(22)12-5-6-14(17)15(18)7-12/h5-10,16,20,22H,1-4H3
InChIKeyJYJNMOHKPXDVLO-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.78
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol

1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol (PubChem CID 110011198) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
PubChem CID110011198
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC Name1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
SMILESCc1c(C(C)NC(C)C(O)c2ccc(F)c(F)c2)cnn1C
InChIInChI=1S/C16H21F2N3O/c1-9(13-8-19-21(4)11(13)3)20-10(2)16(22)12-5-6-14(17)15(18)7-12/h5-10,16,20,22H,1-4H3
InChIKeyJYJNMOHKPXDVLO-UHFFFAOYSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
CID 133461614
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol
CID 110011197
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62090519

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol (CID 110011198) is 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol is Cc1c(C(C)NC(C)C(O)c2ccc(F)c(F)c2)cnn1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol?
The InChIKey is JYJNMOHKPXDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c1-9(13-8-19-21(4)11(13)3)20-10(2)16(22)12-5-6-14(17)15(18)7-12/h5-10,16,20,22H,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol?
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol has a molecular weight of 309.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 110011198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).