1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol

C14H18FN3O — CID 81347331

IUPAC1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)Cn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-11(12-3-5-13(15)6-4-12)16-9-14(19)10-18-8-2-7-17-18/h2-8,11,14,16,19H,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyNRLKYGRIBGPQJZ-YNODCEANSA-N
MW263.32 g/mol
LogP1.73
Rot. Bonds6

About 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol

1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 81347331) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID81347331
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)Cn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-11(12-3-5-13(15)6-4-12)16-9-14(19)10-18-8-2-7-17-18/h2-8,11,14,16,19H,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyNRLKYGRIBGPQJZ-YNODCEANSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
(2R)-1-pyrazol-1-yl-3-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-ol
CID 124613392
(2S)-1-pyrazol-1-yl-3-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-ol
CID 124613389
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 81347331) is 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol is C[C@@H](NCC(O)Cn1cccn1)c1ccc(F)cc1.
What is the InChIKey of 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is NRLKYGRIBGPQJZ-YNODCEANSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11(12-3-5-13(15)6-4-12)16-9-14(19)10-18-8-2-7-17-18/h2-8,11,14,16,19H,9-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 263.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 81347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).