2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide

C14H26N4O — CID 103859872

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCc1c(CNC(C)C(=O)NCCC(C)C)cnn1C
InChIInChI=1S/C14H26N4O/c1-10(2)6-7-15-14(19)11(3)16-8-13-9-17-18(5)12(13)4/h9-11,16H,6-8H2,1-5H3,(H,15,19)
InChIKeyKVYOIQHZRIOUKX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.37
Rot. Bonds7

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide (PubChem CID 103859872) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
PubChem CID103859872
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCc1c(CNC(C)C(=O)NCCC(C)C)cnn1C
InChIInChI=1S/C14H26N4O/c1-10(2)6-7-15-14(19)11(3)16-8-13-9-17-18(5)12(13)4/h9-11,16H,6-8H2,1-5H3,(H,15,19)
InChIKeyKVYOIQHZRIOUKX-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 79578558
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide (CID 103859872) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide is Cc1c(CNC(C)C(=O)NCCC(C)C)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is KVYOIQHZRIOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)6-7-15-14(19)11(3)16-8-13-9-17-18(5)12(13)4/h9-11,16H,6-8H2,1-5H3,(H,15,19).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 103859872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).