4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide

C18H20BrN5O2 — CID 19480548

IUPAC4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3c(Br)c(C)nn3C)cn2)cc1
InChIInChI=1S/C18H20BrN5O2/c1-4-13-5-7-15(8-6-13)26-11-24-10-14(9-20-24)21-18(25)17-16(19)12(2)22-23(17)3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKeyNAYZDYOEKJMBKT-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.54
Rot. Bonds6

About 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480548) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480548
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3c(Br)c(C)nn3C)cn2)cc1
InChIInChI=1S/C18H20BrN5O2/c1-4-13-5-7-15(8-6-13)26-11-24-10-14(9-20-24)21-18(25)17-16(19)12(2)22-23(17)3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKeyNAYZDYOEKJMBKT-UHFFFAOYSA-N
XLogP3.54
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281724
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262899
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474128
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19511435
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262102
4-bromo-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266332
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19406517
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19406430
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272973
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 19480548) is 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide is CCc1ccc(OCn2cc(NC(=O)c3c(Br)c(C)nn3C)cn2)cc1.
What is the InChIKey of 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NAYZDYOEKJMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-4-13-5-7-15(8-6-13)26-11-24-10-14(9-20-24)21-18(25)17-16(19)12(2)22-23(17)3/h5-10H,4,11H2,1-3H3,(H,21,25).
What are the key properties of 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 418.30 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).