3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide

C15H22BrN5O — CID 19570207

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1cc(C(C)NC(=O)CCn2ncc(Br)c2C)c(C)n1
InChIInChI=1S/C15H22BrN5O/c1-5-20-9-13(11(3)19-20)10(2)18-15(22)6-7-21-12(4)14(16)8-17-21/h8-10H,5-7H2,1-4H3,(H,18,22)
InChIKeyQYGUJGUHCKCZTJ-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.75
Rot. Bonds6

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 19570207) has the molecular formula C15H22BrN5O and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID19570207
Molecular FormulaC15H22BrN5O
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1cc(C(C)NC(=O)CCn2ncc(Br)c2C)c(C)n1
InChIInChI=1S/C15H22BrN5O/c1-5-20-9-13(11(3)19-20)10(2)18-15(22)6-7-21-12(4)14(16)8-17-21/h8-10H,5-7H2,1-4H3,(H,18,22)
InChIKeyQYGUJGUHCKCZTJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
1-[3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19621893
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
CID 19466720
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
6-(1,3-dioxoisoindol-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]hexanamide
CID 19462866
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19554061
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
CID 51392312
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide (CID 19570207) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide is CCn1cc(C(C)NC(=O)CCn2ncc(Br)c2C)c(C)n1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is QYGUJGUHCKCZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5O/c1-5-20-9-13(11(3)19-20)10(2)18-15(22)6-7-21-12(4)14(16)8-17-21/h8-10H,5-7H2,1-4H3,(H,18,22).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 368.28 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 19570207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).