(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide

C13H23BrN4O — CID 39735322

IUPAC(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C13H23BrN4O/c1-4-17(5-2)7-6-15-13(19)11(3)9-18-10-12(14)8-16-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyMVFPMJRKVOGCOO-LLVKDONJSA-N
MW331.26 g/mol
LogP1.74
Rot. Bonds8

About (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide

(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide (PubChem CID 39735322) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
PubChem CID39735322
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
SMILESCCN(CC)CCNC(=O)[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C13H23BrN4O/c1-4-17(5-2)7-6-15-13(19)11(3)9-18-10-12(14)8-16-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyMVFPMJRKVOGCOO-LLVKDONJSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
CID 4773742
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285
3-(4-bromopyrazol-1-yl)-2-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19564680
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4776078
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide (CID 39735322) is (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide is CCN(CC)CCNC(=O)[C@H](C)Cn1cc(Br)cn1.
What is the InChIKey of (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide?
The InChIKey is MVFPMJRKVOGCOO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-4-17(5-2)7-6-15-13(19)11(3)9-18-10-12(14)8-16-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1.
What are the key properties of (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide?
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide has a molecular weight of 331.26 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 39735322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).