N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C21H27N7O — CID 25460286

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C21H27N7O/c29-21(20-17-27(25-24-20)14-13-26-11-5-2-6-12-26)22-10-9-18-15-23-28(16-18)19-7-3-1-4-8-19/h1,3-4,7-8,15-17H,2,5-6,9-14H2,(H,22,29)
InChIKeyFWMDDVLUKJXMNH-UHFFFAOYSA-N
MW393.50 g/mol
LogP1.92
Rot. Bonds8

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 25460286) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID25460286
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C21H27N7O/c29-21(20-17-27(25-24-20)14-13-26-11-5-2-6-12-26)22-10-9-18-15-23-28(16-18)19-7-3-1-4-8-19/h1,3-4,7-8,15-17H,2,5-6,9-14H2,(H,22,29)
InChIKeyFWMDDVLUKJXMNH-UHFFFAOYSA-N
XLogP1.92
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
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CID 75524878
1-(4-aminocyclohexyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]triazole-4-carboxamide;formic acid
CID 154911676
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(azepan-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 45186039
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 42151013
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
methyl (2S)-3-phenyl-2-[[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]amino]propanoate
CID 25366336
3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 25460286) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1cn(CCN2CCCCC2)nn1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is FWMDDVLUKJXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c29-21(20-17-27(25-24-20)14-13-26-11-5-2-6-12-26)22-10-9-18-15-23-28(16-18)19-7-3-1-4-8-19/h1,3-4,7-8,15-17H,2,5-6,9-14H2,(H,22,29).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 393.50 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 25460286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).