1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole

C23H23N5 — CID 167834740

IUPAC1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole
SMILESCCc1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)n(C3CC3)n2)cc1
InChIInChI=1S/C23H23N5/c1-2-17-4-8-19(9-5-17)22-25-23(28(26-22)21-12-13-21)20-10-6-18(7-11-20)16-27-15-3-14-24-27/h3-11,14-15,21H,2,12-13,16H2,1H3
InChIKeyGOJCPBHTWDBBKY-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.75
Rot. Bonds6

About 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole

1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole (PubChem CID 167834740) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole
PubChem CID167834740
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole
SMILESCCc1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)n(C3CC3)n2)cc1
InChIInChI=1S/C23H23N5/c1-2-17-4-8-19(9-5-17)22-25-23(28(26-22)21-12-13-21)20-10-6-18(7-11-20)16-27-15-3-14-24-27/h3-11,14-15,21H,2,12-13,16H2,1H3
InChIKeyGOJCPBHTWDBBKY-UHFFFAOYSA-N
XLogP4.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole (CID 167834740) is 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole is CCc1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)n(C3CC3)n2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole?
The InChIKey is GOJCPBHTWDBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-2-17-4-8-19(9-5-17)22-25-23(28(26-22)21-12-13-21)20-10-6-18(7-11-20)16-27-15-3-14-24-27/h3-11,14-15,21H,2,12-13,16H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole?
1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole has a molecular weight of 369.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 167834740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).