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

C15H18BrClN4O — CID 56583142

IUPAC4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1Br
InChIInChI=1S/C15H18BrClN4O/c1-8(2)13-12(16)14(20-19-13)15(22)18-10-7-9(17)5-6-11(10)21(3)4/h5-8H,1-4H3,(H,18,22)(H,19,20)
InChIKeyHITDLNJUUQXQGI-UHFFFAOYSA-N
MW385.69 g/mol
LogP4.27
Rot. Bonds4

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

4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56583142) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56583142
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1Br
InChIInChI=1S/C15H18BrClN4O/c1-8(2)13-12(16)14(20-19-13)15(22)18-10-7-9(17)5-6-11(10)21(3)4/h5-8H,1-4H3,(H,18,22)(H,19,20)
InChIKeyHITDLNJUUQXQGI-UHFFFAOYSA-N
XLogP4.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583096
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583156
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 55336457
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
4-amino-N-(2-bromo-3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 103477230
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56583142) is 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1Br.
What is the InChIKey of 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HITDLNJUUQXQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4O/c1-8(2)13-12(16)14(20-19-13)15(22)18-10-7-9(17)5-6-11(10)21(3)4/h5-8H,1-4H3,(H,18,22)(H,19,20).
What are the key properties of 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 385.69 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56583142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).