(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol

C16H20N6O — CID 94032264

IUPAC(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C16H20N6O/c1-20(12-16(23)13-21-9-5-8-17-21)11-14-10-18-22(19-14)15-6-3-2-4-7-15/h2-10,16,23H,11-13H2,1H3/t16-/m0/s1
InChIKeyGQNDAFMKSJKNDX-INIZCTEOSA-N
MW312.38 g/mol
LogP0.96
Rot. Bonds7

About (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94032264) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94032264
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C16H20N6O/c1-20(12-16(23)13-21-9-5-8-17-21)11-14-10-18-22(19-14)15-6-3-2-4-7-15/h2-10,16,23H,11-13H2,1H3/t16-/m0/s1
InChIKeyGQNDAFMKSJKNDX-INIZCTEOSA-N
XLogP0.96
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 94174337
(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95274456
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 60501287
(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 96998183
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 124827378
(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
(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
CID 119293398
(2S)-1-(4-methylpyrazol-1-yl)-N,N-bis[(2-phenyltriazol-4-yl)methyl]propan-2-amine
CID 95305041
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 94032264) is (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol is CN(Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1.
What is the InChIKey of (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is GQNDAFMKSJKNDX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6O/c1-20(12-16(23)13-21-9-5-8-17-21)11-14-10-18-22(19-14)15-6-3-2-4-7-15/h2-10,16,23H,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 312.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94032264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).