(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide

C14H26N4O2 — CID 94823326

IUPAC(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
SMILESCOc1c(CN[C@H](C(=O)N(C)C)C(C)C)c(C)nn1C
InChIInChI=1S/C14H26N4O2/c1-9(2)12(13(19)17(4)5)15-8-11-10(3)16-18(6)14(11)20-7/h9,12,15H,8H2,1-7H3/t12-/m0/s1
InChIKeyRSOBEFHUJUYHGW-LBPRGKRZSA-N
MW282.39 g/mol
LogP0.94
Rot. Bonds6

About (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide

(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide (PubChem CID 94823326) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
PubChem CID94823326
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
SMILESCOc1c(CN[C@H](C(=O)N(C)C)C(C)C)c(C)nn1C
InChIInChI=1S/C14H26N4O2/c1-9(2)12(13(19)17(4)5)15-8-11-10(3)16-18(6)14(11)20-7/h9,12,15H,8H2,1-7H3/t12-/m0/s1
InChIKeyRSOBEFHUJUYHGW-LBPRGKRZSA-N
XLogP0.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 94821802
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 115608261
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 154757430
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 115600781
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide?
The IUPAC name of (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide (CID 94823326) is (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide is COc1c(CN[C@H](C(=O)N(C)C)C(C)C)c(C)nn1C.
What is the InChIKey of (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide?
The InChIKey is RSOBEFHUJUYHGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-9(2)12(13(19)17(4)5)15-8-11-10(3)16-18(6)14(11)20-7/h9,12,15H,8H2,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide?
(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide is sourced from PubChem (CID 94823326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).