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

C14H20BrN5O — CID 19476696

IUPAC4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2c(Br)cnn2CC)c(C)n1
InChIInChI=1S/C14H20BrN5O/c1-5-19-8-11(10(4)18-19)9(3)17-14(21)13-12(15)7-16-20(13)6-2/h7-9H,5-6H2,1-4H3,(H,17,21)
InChIKeyPZYCWXYUDKHJFU-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.68
Rot. Bonds5

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

4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 19476696) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID19476696
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2c(Br)cnn2CC)c(C)n1
InChIInChI=1S/C14H20BrN5O/c1-5-19-8-11(10(4)18-19)9(3)17-14(21)13-12(15)7-16-20(13)6-2/h7-9H,5-6H2,1-4H3,(H,17,21)
InChIKeyPZYCWXYUDKHJFU-UHFFFAOYSA-N
XLogP2.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 19570207
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
CID 19466720
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19624001
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 19476696) is 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide is CCn1cc(C(C)NC(=O)c2c(Br)cnn2CC)c(C)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is PZYCWXYUDKHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-5-19-8-11(10(4)18-19)9(3)17-14(21)13-12(15)7-16-20(13)6-2/h7-9H,5-6H2,1-4H3,(H,17,21).
What are the key properties of 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19476696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).