3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

C12H23N3O — CID 79254884

IUPAC3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(CO)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(7-16)13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3
InChIKeySGPSXZKXDVVKHA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.14
Rot. Bonds5

About 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 79254884) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID79254884
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(CO)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(7-16)13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3
InChIKeySGPSXZKXDVVKHA-UHFFFAOYSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (CID 79254884) is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is Cc1nn(C)c(C)c1CNC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is SGPSXZKXDVVKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)12(7-16)13-6-11-9(3)14-15(5)10(11)4/h8,12-13,16H,6-7H2,1-5H3.
What are the key properties of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 79254884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).