3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide

C12H19BrN4O2 — CID 19561890

IUPAC3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCCN1CCOCC1
InChIInChI=1S/C12H19BrN4O2/c13-11-9-15-17(10-11)3-1-12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8H2,(H,14,18)
InChIKeyMTFZNPLRQJNMRR-UHFFFAOYSA-N
MW331.21 g/mol
LogP0.48
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 19561890) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID19561890
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCCN1CCOCC1
InChIInChI=1S/C12H19BrN4O2/c13-11-9-15-17(10-11)3-1-12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8H2,(H,14,18)
InChIKeyMTFZNPLRQJNMRR-UHFFFAOYSA-N
XLogP0.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 19561890) is 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCn1cc(Br)cn1)NCCN1CCOCC1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is MTFZNPLRQJNMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c13-11-9-15-17(10-11)3-1-12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8H2,(H,14,18).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 331.21 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 19561890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).