1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol

C14H19N3O — CID 63867828

IUPAC1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)Cn1cccn1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-12(13-6-3-2-4-7-13)15-10-14(18)11-17-9-5-8-16-17/h2-9,12,14-15,18H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyXEULDHZSKMFZLQ-PUODRLBUSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds6

About 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol

1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 63867828) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID63867828
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)Cn1cccn1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-12(13-6-3-2-4-7-13)15-10-14(18)11-17-9-5-8-16-17/h2-9,12,14-15,18H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyXEULDHZSKMFZLQ-PUODRLBUSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

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CID 81410027
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81347331
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
(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
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 63867828) is 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol is C[C@@H](NCC(O)Cn1cccn1)c1ccccc1.
What is the InChIKey of 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XEULDHZSKMFZLQ-PUODRLBUSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(13-6-3-2-4-7-13)15-10-14(18)11-17-9-5-8-16-17/h2-9,12,14-15,18H,10-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 63867828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).