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

C15H21N3O2 — CID 81371484

IUPAC1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc([C@@H](C)NCC(O)Cn2cccn2)cc1
InChIInChI=1S/C15H21N3O2/c1-12(13-4-6-15(20-2)7-5-13)16-10-14(19)11-18-9-3-8-17-18/h3-9,12,14,16,19H,10-11H2,1-2H3/t12-,14?/m1/s1
InChIKeyIIANQICVMWZSRU-PUODRLBUSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds7

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

1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 81371484) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID81371484
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc([C@@H](C)NCC(O)Cn2cccn2)cc1
InChIInChI=1S/C15H21N3O2/c1-12(13-4-6-15(20-2)7-5-13)16-10-14(19)11-18-9-3-8-17-18/h3-9,12,14,16,19H,10-11H2,1-2H3/t12-,14?/m1/s1
InChIKeyIIANQICVMWZSRU-PUODRLBUSA-N
XLogP1.60
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
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-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
(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-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 81371484) is 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol is COc1ccc([C@@H](C)NCC(O)Cn2cccn2)cc1.
What is the InChIKey of 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is IIANQICVMWZSRU-PUODRLBUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(13-4-6-15(20-2)7-5-13)16-10-14(19)11-18-9-3-8-17-18/h3-9,12,14,16,19H,10-11H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol?
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 81371484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).