4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide

C14H15BrN4O2 — CID 122508589

IUPAC4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESCCN(C(C)=O)c1cn(-c2cccc(Br)c2)nc1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-18(9(2)20)12-8-19(17-13(12)14(16)21)11-6-4-5-10(15)7-11/h4-8H,3H2,1-2H3,(H2,16,21)
InChIKeySSTAPBLVIMRVSM-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.11
Rot. Bonds4

About 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide

4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide (PubChem CID 122508589) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide
PubChem CID122508589
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESCCN(C(C)=O)c1cn(-c2cccc(Br)c2)nc1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-18(9(2)20)12-8-19(17-13(12)14(16)21)11-6-4-5-10(15)7-11/h4-8H,3H2,1-2H3,(H2,16,21)
InChIKeySSTAPBLVIMRVSM-UHFFFAOYSA-N
XLogP2.11
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide (CID 122508589) is 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide is CCN(C(C)=O)c1cn(-c2cccc(Br)c2)nc1C(N)=O.
What is the InChIKey of 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide?
The InChIKey is SSTAPBLVIMRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-18(9(2)20)12-8-19(17-13(12)14(16)21)11-6-4-5-10(15)7-11/h4-8H,3H2,1-2H3,(H2,16,21).
What are the key properties of 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide?
4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(ethyl)amino]-1-(3-bromophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122508589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).