2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide

C21H19N5O — CID 137425143

IUPAC2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3nncc(C)c3c2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C21H19N5O/c1-13-10-15(16-5-7-19-17(11-16)14(2)12-22-25-19)4-6-18(13)24-21(27)20-8-9-23-26(20)3/h4-12H,1-3H3,(H,24,27)
InChIKeyMPUZOIHCSVJLTG-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.90
Rot. Bonds3

About 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide

2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 137425143) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
PubChem CID137425143
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3nncc(C)c3c2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C21H19N5O/c1-13-10-15(16-5-7-19-17(11-16)14(2)12-22-25-19)4-6-18(13)24-21(27)20-8-9-23-26(20)3/h4-12H,1-3H3,(H,24,27)
InChIKeyMPUZOIHCSVJLTG-UHFFFAOYSA-N
XLogP3.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425267
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
CID 137498259
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-[5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 142520449
N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 137425596
N-[3-methoxy-2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137498257
4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
N-(4-bromo-2-carbamothioylphenyl)-2-methylpyrazole-3-carboxamide
CID 82703437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide (CID 137425143) is 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide is Cc1cc(-c2ccc3nncc(C)c3c2)ccc1NC(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MPUZOIHCSVJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-10-15(16-5-7-19-17(11-16)14(2)12-22-25-19)4-6-18(13)24-21(27)20-8-9-23-26(20)3/h4-12H,1-3H3,(H,24,27).
What are the key properties of 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide?
2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137425143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).