3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide

C17H19BrN4O3 — CID 100829150

IUPAC3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Br)NCCC(=O)NC1CC1
InChIInChI=1S/C17H19BrN4O3/c18-14-10-22(13-4-2-1-3-5-13)21-17(14)25-11-16(24)19-9-8-15(23)20-12-6-7-12/h1-5,10,12H,6-9,11H2,(H,19,24)(H,20,23)
InChIKeyBFVFHJZDUBKZQD-UHFFFAOYSA-N
MW407.27 g/mol
LogP1.80
Rot. Bonds8

About 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide

3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide (PubChem CID 100829150) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
PubChem CID100829150
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Br)NCCC(=O)NC1CC1
InChIInChI=1S/C17H19BrN4O3/c18-14-10-22(13-4-2-1-3-5-13)21-17(14)25-11-16(24)19-9-8-15(23)20-12-6-7-12/h1-5,10,12H,6-9,11H2,(H,19,24)(H,20,23)
InChIKeyBFVFHJZDUBKZQD-UHFFFAOYSA-N
XLogP1.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
CID 100829183
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 171132838
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
CID 100829131
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide (CID 100829150) is 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide is O=C(COc1nn(-c2ccccc2)cc1Br)NCCC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide?
The InChIKey is BFVFHJZDUBKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c18-14-10-22(13-4-2-1-3-5-13)21-17(14)25-11-16(24)19-9-8-15(23)20-12-6-7-12/h1-5,10,12H,6-9,11H2,(H,19,24)(H,20,23).
What are the key properties of 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide?
3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide has a molecular weight of 407.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 100829150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).