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

C12H16BrN5O — CID 19294580

IUPAC3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C12H16BrN5O/c1-2-18-11(3-5-15-18)8-14-12(19)4-6-17-9-10(13)7-16-17/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,19)
InChIKeySAFCLYRQTPHAQA-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.57
Rot. Bonds6

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

3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (PubChem CID 19294580) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
PubChem CID19294580
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C12H16BrN5O/c1-2-18-11(3-5-15-18)8-14-12(19)4-6-17-9-10(13)7-16-17/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,19)
InChIKeySAFCLYRQTPHAQA-UHFFFAOYSA-N
XLogP1.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19561872
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294705
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294693
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19294610
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 35322160

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (CID 19294580) is 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is CCn1nccc1CNC(=O)CCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is SAFCLYRQTPHAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-2-18-11(3-5-15-18)8-14-12(19)4-6-17-9-10(13)7-16-17/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,19).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 326.20 g/mol, XLogP of 1.57, 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-ethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19294580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).