2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide

C14H26N4O — CID 106344336

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
SMILESCC(C)C(NCc1cn(C)nc1C(C)(C)C)C(N)=O
InChIInChI=1S/C14H26N4O/c1-9(2)11(13(15)19)16-7-10-8-18(6)17-12(10)14(3,4)5/h8-9,11,16H,7H2,1-6H3,(H2,15,19)
InChIKeyZTTFCRAEABLODL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.32
Rot. Bonds5

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide (PubChem CID 106344336) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
PubChem CID106344336
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
SMILESCC(C)C(NCc1cn(C)nc1C(C)(C)C)C(N)=O
InChIInChI=1S/C14H26N4O/c1-9(2)11(13(15)19)16-7-10-8-18(6)17-12(10)14(3,4)5/h8-9,11,16H,7H2,1-6H3,(H2,15,19)
InChIKeyZTTFCRAEABLODL-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 83088814
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 166224576
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
CID 83086959
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylhexan-2-amine
CID 83085723
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]heptan-2-amine
CID 83086754
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
methyl 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)propanoate
CID 83088788
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 83090335
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
(1R)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83090494
4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-5-phenylpentanoic acid
CID 122046059
(1R)-1-(2-bromophenyl)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 83090499

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide (CID 106344336) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide is CC(C)C(NCc1cn(C)nc1C(C)(C)C)C(N)=O.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The InChIKey is ZTTFCRAEABLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(2)11(13(15)19)16-7-10-8-18(6)17-12(10)14(3,4)5/h8-9,11,16H,7H2,1-6H3,(H2,15,19).
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide has a molecular weight of 266.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106344336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).