4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H23BrN4O — CID 56560029

IUPAC4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-5-22(6-2)13-9-7-12(8-10-13)19-17(23)16-14(18)15(11(3)4)20-21-16/h7-11H,5-6H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyQGIPNSPTXSXYLR-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.39
Rot. Bonds6

About 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56560029) has the molecular formula C17H23BrN4O and a molecular weight of 379.30 g/mol. Its IUPAC name is 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56560029
Molecular FormulaC17H23BrN4O
Molecular Weight379.30 g/mol
Exact Mass378.11
IUPAC Name4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1
InChIInChI=1S/C17H23BrN4O/c1-5-22(6-2)13-9-7-12(8-10-13)19-17(23)16-14(18)15(11(3)4)20-21-16/h7-11H,5-6H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyQGIPNSPTXSXYLR-UHFFFAOYSA-N
XLogP4.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702097
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N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
4-bromo-5-propan-2-yl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56565687
4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564930
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
N-(3-benzoylphenyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565943
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
4-bromo-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563265
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56560029) is 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is QGIPNSPTXSXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O/c1-5-22(6-2)13-9-7-12(8-10-13)19-17(23)16-14(18)15(11(3)4)20-21-16/h7-11H,5-6H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56560029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).