3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide

C15H20N4O — CID 119700606

IUPAC3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(16)9-15(20)17-8-7-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-6,10-12H,7-9,16H2,1H3,(H,17,20)
InChIKeyVHZOPPVICUBFAP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.27
Rot. Bonds6

About 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide

3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide (PubChem CID 119700606) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
PubChem CID119700606
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-12(16)9-15(20)17-8-7-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-6,10-12H,7-9,16H2,1H3,(H,17,20)
InChIKeyVHZOPPVICUBFAP-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 157013867
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 111504369
(2R)-2-(carbamoylamino)-3,3-dimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 124874597
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide (CID 119700606) is 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide is CC(N)CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is VHZOPPVICUBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(16)9-15(20)17-8-7-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-6,10-12H,7-9,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 119700606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).