4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide

C11H14BrN5O2 — CID 19262933

IUPAC4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2nn(C)cc2Br)cn1
InChIInChI=1S/C11H14BrN5O2/c1-3-19-7-17-5-8(4-13-17)14-11(18)10-9(12)6-16(2)15-10/h4-6H,3,7H2,1-2H3,(H,14,18)
InChIKeyFLEQPCJSCMHNIL-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.63
Rot. Bonds5

About 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262933) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID19262933
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2nn(C)cc2Br)cn1
InChIInChI=1S/C11H14BrN5O2/c1-3-19-7-17-5-8(4-13-17)14-11(18)10-9(12)6-16(2)15-10/h4-6H,3,7H2,1-2H3,(H,14,18)
InChIKeyFLEQPCJSCMHNIL-UHFFFAOYSA-N
XLogP1.63
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266362
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N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
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4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
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CID 19474460
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478554
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide (CID 19262933) is 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide is CCOCn1cc(NC(=O)c2nn(C)cc2Br)cn1.
What is the InChIKey of 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FLEQPCJSCMHNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-3-19-7-17-5-8(4-13-17)14-11(18)10-9(12)6-16(2)15-10/h4-6H,3,7H2,1-2H3,(H,14,18).
What are the key properties of 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).