N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide

C21H23N7O2 — CID 68515179

IUPACN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C=Cc2cnn(C)c2)cc1
InChIInChI=1S/C21H23N7O2/c1-3-22-20(29)15-5-9-17(10-6-15)28-18(11-4-14-12-23-27(2)13-14)19(25-26-28)21(30)24-16-7-8-16/h4-6,9-13,16H,3,7-8H2,1-2H3,(H,22,29)(H,24,30)
InChIKeyDVYRZECUWYNCSZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.81
Rot. Bonds7

About N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide

N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide (PubChem CID 68515179) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
PubChem CID68515179
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C=Cc2cnn(C)c2)cc1
InChIInChI=1S/C21H23N7O2/c1-3-22-20(29)15-5-9-17(10-6-15)28-18(11-4-14-12-23-27(2)13-14)19(25-26-28)21(30)24-16-7-8-16/h4-6,9-13,16H,3,7-8H2,1-2H3,(H,22,29)(H,24,30)
InChIKeyDVYRZECUWYNCSZ-UHFFFAOYSA-N
XLogP1.81
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide
CID 160874146
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
1-[4-(ethylcarbamoyl)phenyl]-5-(methylsulfanylmethyl)triazole-4-carboxamide
CID 68516925
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791
(E)-N-(2-chloroprop-2-enyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115636816
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
4-[(E)-3-[[2-(tert-butylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35714063
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide (CID 68515179) is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide is CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C=Cc2cnn(C)c2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide?
The InChIKey is DVYRZECUWYNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-3-22-20(29)15-5-9-17(10-6-15)28-18(11-4-14-12-23-27(2)13-14)19(25-26-28)21(30)24-16-7-8-16/h4-6,9-13,16H,3,7-8H2,1-2H3,(H,22,29)(H,24,30).
What are the key properties of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide?
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide is sourced from PubChem (CID 68515179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).