5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole

C17H21N5 — CID 50957133

IUPAC5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole
SMILESCCn1nc(C(C)C)cc1-c1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C17H21N5/c1-4-22-15(11-14(21-22)12(2)3)17-18-16(19-20-17)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyCOSPIAAEKHSZJU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.40
Rot. Bonds5

About 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole

5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole (PubChem CID 50957133) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole
PubChem CID50957133
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole
SMILESCCn1nc(C(C)C)cc1-c1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C17H21N5/c1-4-22-15(11-14(21-22)12(2)3)17-18-16(19-20-17)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyCOSPIAAEKHSZJU-UHFFFAOYSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15333433
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CID 9797729
5-Benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10132446
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
CID 165414963
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CID 70685405
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenyl-pyrimidin-4-amine
CID 70687548
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-amine
CID 70695927
3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonine
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5-(1-Ethyl-3-naphthalen-1-ylpyrazol-5-yl)-1-methyl-1,2,4-triazole
CID 137655535
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole (CID 50957133) is 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole is CCn1nc(C(C)C)cc1-c1n[nH]c(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole?
The InChIKey is COSPIAAEKHSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-22-15(11-14(21-22)12(2)3)17-18-16(19-20-17)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole?
5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole has a molecular weight of 295.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 50957133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).