1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol

C13H18N4O — CID 81410027

IUPAC1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)Cn1cccn1)c1ccncc1
InChIInChI=1S/C13H18N4O/c1-11(12-3-6-14-7-4-12)15-9-13(18)10-17-8-2-5-16-17/h2-8,11,13,15,18H,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyGMZGVUSJFINDCQ-AMGKYWFPSA-N
MW246.31 g/mol
LogP0.99
Rot. Bonds6

About 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol

1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81410027) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81410027
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)Cn1cccn1)c1ccncc1
InChIInChI=1S/C13H18N4O/c1-11(12-3-6-14-7-4-12)15-9-13(18)10-17-8-2-5-16-17/h2-8,11,13,15,18H,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyGMZGVUSJFINDCQ-AMGKYWFPSA-N
XLogP0.99
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
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
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
(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
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81410027) is 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol is C[C@H](NCC(O)Cn1cccn1)c1ccncc1.
What is the InChIKey of 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is GMZGVUSJFINDCQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11(12-3-6-14-7-4-12)15-9-13(18)10-17-8-2-5-16-17/h2-8,11,13,15,18H,9-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81410027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).