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

C18H17BrN4O2S — CID 56564996

IUPAC4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1Br
InChIInChI=1S/C18H17BrN4O2S/c1-10(2)15-14(19)16(23-22-15)18(25)21-12-7-5-11(6-8-12)20-17(24)13-4-3-9-26-13/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPXJXGZLJWWFPMW-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.86
Rot. Bonds5

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

4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 56564996) has the molecular formula C18H17BrN4O2S and a molecular weight of 433.33 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID56564996
Molecular FormulaC18H17BrN4O2S
Molecular Weight433.33 g/mol
Exact Mass432.03
IUPAC Name4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1Br
InChIInChI=1S/C18H17BrN4O2S/c1-10(2)15-14(19)16(23-22-15)18(25)21-12-7-5-11(6-8-12)20-17(24)13-4-3-9-26-13/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPXJXGZLJWWFPMW-UHFFFAOYSA-N
XLogP4.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 56559909
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
4-bromo-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566728
4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583156
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(3-benzoylphenyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565943
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
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide (CID 56564996) is 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is PXJXGZLJWWFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2S/c1-10(2)15-14(19)16(23-22-15)18(25)21-12-7-5-11(6-8-12)20-17(24)13-4-3-9-26-13/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 433.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).