6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide

C14H26N4O — CID 106047363

IUPAC6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H26N4O/c1-4-12(7-8-15)5-6-14(19)16-9-13-10-17-18(3)11(13)2/h10,12H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyVFRBDXIKUARBHF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.50
Rot. Bonds8

About 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide

6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide (PubChem CID 106047363) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
PubChem CID106047363
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H26N4O/c1-4-12(7-8-15)5-6-14(19)16-9-13-10-17-18(3)11(13)2/h10,12H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyVFRBDXIKUARBHF-UHFFFAOYSA-N
XLogP1.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
3-(4-aminophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047318
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide?
The IUPAC name of 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide (CID 106047363) is 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide is CCC(CCN)CCC(=O)NCc1cnn(C)c1C.
What is the InChIKey of 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide?
The InChIKey is VFRBDXIKUARBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-12(7-8-15)5-6-14(19)16-9-13-10-17-18(3)11(13)2/h10,12H,4-9,15H2,1-3H3,(H,16,19).
What are the key properties of 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide?
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide is sourced from PubChem (CID 106047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).