4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide

C16H20BrN3O3 — CID 19267393

IUPAC4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NC(C)c2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H20BrN3O3/c1-5-20-9-13(17)15(19-20)16(21)18-10(2)12-8-11(22-3)6-7-14(12)23-4/h6-10H,5H2,1-4H3,(H,18,21)
InChIKeyMUCMNHWAIFSAOK-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.17
Rot. Bonds6

About 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide

4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19267393) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19267393
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NC(C)c2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H20BrN3O3/c1-5-20-9-13(17)15(19-20)16(21)18-10(2)12-8-11(22-3)6-7-14(12)23-4/h6-10H,5H2,1-4H3,(H,18,21)
InChIKeyMUCMNHWAIFSAOK-UHFFFAOYSA-N
XLogP3.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462191
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 66197175
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266522
1-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 29089861
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464098
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 19274793

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide (CID 19267393) is 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)NC(C)c2cc(OC)ccc2OC)n1.
What is the InChIKey of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is MUCMNHWAIFSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-5-20-9-13(17)15(19-20)16(21)18-10(2)12-8-11(22-3)6-7-14(12)23-4/h6-10H,5H2,1-4H3,(H,18,21).
What are the key properties of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide?
4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19267393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).