1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide

C15H19BrN4O — CID 82953548

IUPAC1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
SMILESCCNC(C)c1ccc(Br)cc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-18-10(2)12-6-5-11(16)9-14(12)20-8-7-13(19-20)15(21)17-3/h5-10,18H,4H2,1-3H3,(H,17,21)
InChIKeyOFQCXADHLKTQFK-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.66
Rot. Bonds5

About 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide

1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 82953548) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID82953548
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
SMILESCCNC(C)c1ccc(Br)cc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C15H19BrN4O/c1-4-18-10(2)12-6-5-11(16)9-14(12)20-8-7-13(19-20)15(21)17-3/h5-10,18H,4H2,1-3H3,(H,17,21)
InChIKeyOFQCXADHLKTQFK-UHFFFAOYSA-N
XLogP2.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide (CID 82953548) is 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide is CCNC(C)c1ccc(Br)cc1-n1ccc(C(=O)NC)n1.
What is the InChIKey of 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is OFQCXADHLKTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-18-10(2)12-6-5-11(16)9-14(12)20-8-7-13(19-20)15(21)17-3/h5-10,18H,4H2,1-3H3,(H,17,21).
What are the key properties of 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide?
1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 82953548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).