2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide

C16H22N4O — CID 119294783

IUPAC2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C16H22N4O/c1-4-6-15(17)16(21)18-13-7-5-8-14(10-13)20-12(3)9-11(2)19-20/h5,7-10,15H,4,6,17H2,1-3H3,(H,18,21)
InChIKeyAPNZAYKRPGHZLQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide

2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide (PubChem CID 119294783) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
PubChem CID119294783
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C16H22N4O/c1-4-6-15(17)16(21)18-13-7-5-8-14(10-13)20-12(3)9-11(2)19-20/h5,7-10,15H,4,6,17H2,1-3H3,(H,18,21)
InChIKeyAPNZAYKRPGHZLQ-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]pentanamide
CID 119266330
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide (CID 119294783) is 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(-n2nc(C)cc2C)c1.
What is the InChIKey of 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide?
The InChIKey is APNZAYKRPGHZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-6-15(17)16(21)18-13-7-5-8-14(10-13)20-12(3)9-11(2)19-20/h5,7-10,15H,4,6,17H2,1-3H3,(H,18,21).
What are the key properties of 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide?
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 119294783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).