4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide

C17H24N4O — CID 119894668

IUPAC4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CCCN)cc2)n1
InChIInChI=1S/C17H24N4O/c1-12-11-13(2)21(20-12)16-8-6-15(7-9-16)14(3)19-17(22)5-4-10-18/h6-9,11,14H,4-5,10,18H2,1-3H3,(H,19,22)
InChIKeyKJFKXOBJLXFXNU-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.41
Rot. Bonds6

About 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide

4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide (PubChem CID 119894668) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
PubChem CID119894668
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CCCN)cc2)n1
InChIInChI=1S/C17H24N4O/c1-12-11-13(2)21(20-12)16-8-6-15(7-9-16)14(3)19-17(22)5-4-10-18/h6-9,11,14H,4-5,10,18H2,1-3H3,(H,19,22)
InChIKeyKJFKXOBJLXFXNU-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide (CID 119894668) is 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide is Cc1cc(C)n(-c2ccc(C(C)NC(=O)CCCN)cc2)n1.
What is the InChIKey of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide?
The InChIKey is KJFKXOBJLXFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-11-13(2)21(20-12)16-8-6-15(7-9-16)14(3)19-17(22)5-4-10-18/h6-9,11,14H,4-5,10,18H2,1-3H3,(H,19,22).
What are the key properties of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide?
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide has a molecular weight of 300.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 119894668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).