(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol

C16H23N3O — CID 94174337

IUPAC(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CCCc1ccccc1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C16H23N3O/c1-18(11-5-9-15-7-3-2-4-8-15)13-16(20)14-19-12-6-10-17-19/h2-4,6-8,10,12,16,20H,5,9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyMOCIDFWVRUVEKL-INIZCTEOSA-N
MW273.38 g/mol
LogP1.81
Rot. Bonds8

About (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94174337) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94174337
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CCCc1ccccc1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C16H23N3O/c1-18(11-5-9-15-7-3-2-4-8-15)13-16(20)14-19-12-6-10-17-19/h2-4,6-8,10,12,16,20H,5,9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyMOCIDFWVRUVEKL-INIZCTEOSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 60501287
1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 65483698
(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 94032264
(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95274456
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 64974574
1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 56815110
(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 124812147
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
1-(3,4-dimethyl-N-pentan-3-ylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 56560960
(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 96998183

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 94174337) is (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol is CN(CCCc1ccccc1)C[C@H](O)Cn1cccn1.
What is the InChIKey of (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is MOCIDFWVRUVEKL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(11-5-9-15-7-3-2-4-8-15)13-16(20)14-19-12-6-10-17-19/h2-4,6-8,10,12,16,20H,5,9,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94174337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).