2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone

C15H17N3O2 — CID 114520707

IUPAC2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2ccc(OC3CC3)cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-11(8-17-18)14(16)15(19)10-2-4-12(5-3-10)20-13-6-7-13/h2-5,8-9,13-14H,6-7,16H2,1H3
InChIKeyPLWBRYUVSSPJOM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 114520707) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID114520707
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2ccc(OC3CC3)cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-11(8-17-18)14(16)15(19)10-2-4-12(5-3-10)20-13-6-7-13/h2-5,8-9,13-14H,6-7,16H2,1H3
InChIKeyPLWBRYUVSSPJOM-UHFFFAOYSA-N
XLogP1.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115289019
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114519486
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 114520707) is 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(N)C(=O)c2ccc(OC3CC3)cc2)cn1.
What is the InChIKey of 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is PLWBRYUVSSPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-9-11(8-17-18)14(16)15(19)10-2-4-12(5-3-10)20-13-6-7-13/h2-5,8-9,13-14H,6-7,16H2,1H3.
What are the key properties of 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 114520707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).