N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

C15H13BrN6O2 — CID 19511434

IUPACN-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3Br)c2)n1
InChIInChI=1S/C15H13BrN6O2/c1-22-6-5-12(21-22)14(23)18-9-3-2-4-10(7-9)19-15(24)13-11(16)8-17-20-13/h2-8H,1H3,(H,17,20)(H,18,23)(H,19,24)
InChIKeyPJHUGMKCDCKGGS-UHFFFAOYSA-N
MW389.21 g/mol
LogP2.41
Rot. Bonds4

About N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19511434) has the molecular formula C15H13BrN6O2 and a molecular weight of 389.21 g/mol. Its IUPAC name is N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19511434
Molecular FormulaC15H13BrN6O2
Molecular Weight389.21 g/mol
Exact Mass388.03
IUPAC NameN-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3Br)c2)n1
InChIInChI=1S/C15H13BrN6O2/c1-22-6-5-12(21-22)14(23)18-9-3-2-4-10(7-9)19-15(24)13-11(16)8-17-20-13/h2-8H,1H3,(H,17,20)(H,18,23)(H,19,24)
InChIKeyPJHUGMKCDCKGGS-UHFFFAOYSA-N
XLogP2.41
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19479707
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19329213
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-[3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19567929
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19511434) is N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc(NC(=O)c3[nH]ncc3Br)c2)n1.
What is the InChIKey of N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is PJHUGMKCDCKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6O2/c1-22-6-5-12(21-22)14(23)18-9-3-2-4-10(7-9)19-15(24)13-11(16)8-17-20-13/h2-8H,1H3,(H,17,20)(H,18,23)(H,19,24).
What are the key properties of N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19511434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).