N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide

C15H12BrN3O2 — CID 56795078

IUPACN-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccoc2)c1-c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-9-13(10-3-2-4-12(16)7-10)14(19-18-9)17-15(20)11-5-6-21-8-11/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyBBQMEXUGHPSKHD-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.99
Rot. Bonds3

About N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide

N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide (PubChem CID 56795078) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide
PubChem CID56795078
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccoc2)c1-c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-9-13(10-3-2-4-12(16)7-10)14(19-18-9)17-15(20)11-5-6-21-8-11/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyBBQMEXUGHPSKHD-UHFFFAOYSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-4-phenylpyrazolyl 2-methyl(3-furyl) ketone
CID 1263280
N-(1H-indazol-3-yl)furan-3-carboxamide
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N-(5-ethyl-1-phenylpyrazol-3-yl)furan-3-carboxamide
CID 46106914
N-[1-(3-Phenyl-1H-pyrazol-5-YL)piperidin-4-YL]furan-3-carboxamide
CID 75528174
N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide
CID 51131802
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 52865335
N-(6-fluoro-1H-indazol-3-yl)furan-3-carboxamide
CID 100698185
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methyl-5-phenylfuran-3-carboxamide
CID 22176722
N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide
CID 43052470
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide
CID 43068270
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]furan-3-carboxamide
CID 46107930
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 47047261

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide (CID 56795078) is N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide is Cc1[nH]nc(NC(=O)c2ccoc2)c1-c1cccc(Br)c1.
What is the InChIKey of N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is BBQMEXUGHPSKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-13(10-3-2-4-12(16)7-10)14(19-18-9)17-15(20)11-5-6-21-8-11/h2-8H,1H3,(H2,17,18,19,20).
What are the key properties of N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide?
N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 56795078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).