N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C23H18BrN5O2 — CID 60614952

IUPACN-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)cnn1-c1ccccc1
InChIInChI=1S/C23H18BrN5O2/c1-15-20(14-26-29(15)19-8-3-2-4-9-19)23(31)27-18-7-5-6-16(12-18)22(30)28-21-11-10-17(24)13-25-21/h2-14H,1H3,(H,27,31)(H,25,28,30)
InChIKeyVRBFQLHRNFUJNU-UHFFFAOYSA-N
MW476.33 g/mol
LogP4.84
Rot. Bonds5

About N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 60614952) has the molecular formula C23H18BrN5O2 and a molecular weight of 476.33 g/mol. Its IUPAC name is N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID60614952
Molecular FormulaC23H18BrN5O2
Molecular Weight476.33 g/mol
Exact Mass475.06
IUPAC NameN-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)cnn1-c1ccccc1
InChIInChI=1S/C23H18BrN5O2/c1-15-20(14-26-29(15)19-8-3-2-4-9-19)23(31)27-18-7-5-6-16(12-18)22(30)28-21-11-10-17(24)13-25-21/h2-14H,1H3,(H,27,31)(H,25,28,30)
InChIKeyVRBFQLHRNFUJNU-UHFFFAOYSA-N
XLogP4.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.33
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
ethyl 1-[4-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 52636921
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55887741
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 60614952) is N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VRBFQLHRNFUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O2/c1-15-20(14-26-29(15)19-8-3-2-4-9-19)23(31)27-18-7-5-6-16(12-18)22(30)28-21-11-10-17(24)13-25-21/h2-14H,1H3,(H,27,31)(H,25,28,30).
What are the key properties of N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 476.33 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60614952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).