4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C12H16BrN5O — CID 19278178

IUPAC4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)N(C)Cc2ccnn2C)n1
InChIInChI=1S/C12H16BrN5O/c1-4-18-8-10(13)11(15-18)12(19)16(2)7-9-5-6-14-17(9)3/h5-6,8H,4,7H2,1-3H3
InChIKeyMYYZOCIMPKZCGI-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.67
Rot. Bonds4

About 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19278178) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19278178
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)N(C)Cc2ccnn2C)n1
InChIInChI=1S/C12H16BrN5O/c1-4-18-8-10(13)11(15-18)12(19)16(2)7-9-5-6-14-17(9)3/h5-6,8H,4,7H2,1-3H3
InChIKeyMYYZOCIMPKZCGI-UHFFFAOYSA-N
XLogP1.67
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515350
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
3-[5-[(4-bromo-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491830
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-iodo-N,1-dimethylpyrazole-3-carboxamide
CID 19277989
3-[(4-bromo-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498314
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
3-butyl-1-methyl-1-[(2-methylpyrazol-3-yl)methyl]urea
CID 19462474
N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959390
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19278178) is 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)N(C)Cc2ccnn2C)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MYYZOCIMPKZCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-18-8-10(13)11(15-18)12(19)16(2)7-9-5-6-14-17(9)3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 326.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).