2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

C12H16BrN5O — CID 19294693

IUPAC2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C12H16BrN5O/c1-3-17-11(4-5-15-17)7-14-12(19)9(2)18-8-10(13)6-16-18/h4-6,8-9H,3,7H2,1-2H3,(H,14,19)
InChIKeySIQMKAMIOZEIRM-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (PubChem CID 19294693) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
PubChem CID19294693
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C12H16BrN5O/c1-3-17-11(4-5-15-17)7-14-12(19)9(2)18-8-10(13)6-16-18/h4-6,8-9H,3,7H2,1-2H3,(H,14,19)
InChIKeySIQMKAMIOZEIRM-UHFFFAOYSA-N
XLogP1.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294706
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294705
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294580
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19537609
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (CID 19294693) is 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is CCn1nccc1CNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is SIQMKAMIOZEIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-3-17-11(4-5-15-17)7-14-12(19)9(2)18-8-10(13)6-16-18/h4-6,8-9H,3,7H2,1-2H3,(H,14,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 326.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19294693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).