N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21N7O2 — CID 19440776

IUPACN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1
InChIInChI=1S/C21H21N7O2/c1-4-27-18(8-9-22-27)21(30)26-16-7-5-6-15(11-16)25-20(29)17-12-23-28-14(3)10-13(2)24-19(17)28/h5-12H,4H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyWCWRMWIMNFZCMY-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.07
Rot. Bonds5

About N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440776) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440776
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1
InChIInChI=1S/C21H21N7O2/c1-4-27-18(8-9-22-27)21(30)26-16-7-5-6-15(11-16)25-20(29)17-12-23-28-14(3)10-13(2)24-19(17)28/h5-12H,4H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyWCWRMWIMNFZCMY-UHFFFAOYSA-N
XLogP3.07
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
3-bromo-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464176
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 34979505
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440776) is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1.
What is the InChIKey of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WCWRMWIMNFZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-4-27-18(8-9-22-27)21(30)26-16-7-5-6-15(11-16)25-20(29)17-12-23-28-14(3)10-13(2)24-19(17)28/h5-12H,4H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).