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

C13H21BrN4O2 — CID 4777134

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1nn(CCC(=O)NCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H21BrN4O2/c1-11-12(14)10-18(16-11)4-2-13(19)15-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19)
InChIKeyCTJNFHCEVISKQW-UHFFFAOYSA-N
MW345.24 g/mol
LogP0.79
Rot. Bonds6

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

3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4777134) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4777134
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1nn(CCC(=O)NCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H21BrN4O2/c1-11-12(14)10-18(16-11)4-2-13(19)15-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19)
InChIKeyCTJNFHCEVISKQW-UHFFFAOYSA-N
XLogP0.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 4777134) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide is Cc1nn(CCC(=O)NCCN2CCOCC2)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CTJNFHCEVISKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-11-12(14)10-18(16-11)4-2-13(19)15-3-5-17-6-8-20-9-7-17/h10H,2-9H2,1H3,(H,15,19).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 345.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4777134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).