2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol

C15H21N3O — CID 110905987

IUPAC2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(-c2ccccc2)cc1CNCC(C)CO
InChIInChI=1S/C15H21N3O/c1-12(11-19)8-16-9-14-10-18(17-13(14)2)15-6-4-3-5-7-15/h3-7,10,12,16,19H,8-9,11H2,1-2H3
InChIKeyRFZKJDXZZYWFFI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.90
Rot. Bonds6

About 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol

2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 110905987) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID110905987
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(-c2ccccc2)cc1CNCC(C)CO
InChIInChI=1S/C15H21N3O/c1-12(11-19)8-16-9-14-10-18(17-13(14)2)15-6-4-3-5-7-15/h3-7,10,12,16,19H,8-9,11H2,1-2H3
InChIKeyRFZKJDXZZYWFFI-UHFFFAOYSA-N
XLogP1.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111470542
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795197
2-(3-methyl-1-phenylpyrazol-4-yl)acetonitrile
CID 86094579
(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 94871645
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
CID 99823863
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol (CID 110905987) is 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol is Cc1nn(-c2ccccc2)cc1CNCC(C)CO.
What is the InChIKey of 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is RFZKJDXZZYWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(11-19)8-16-9-14-10-18(17-13(14)2)15-6-4-3-5-7-15/h3-7,10,12,16,19H,8-9,11H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol?
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 110905987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).