3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole

C20H24FN5 — CID 72853403

IUPAC3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESCCn1nc(C(C)C)cc1-c1nc(C2CC2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN5/c1-4-25-18(11-17(23-25)13(2)3)20-22-19(15-7-8-15)24-26(20)12-14-5-9-16(21)10-6-14/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3
InChIKeyMHWUUFXEMADPLC-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.35
Rot. Bonds6

About 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole

3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole (PubChem CID 72853403) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
PubChem CID72853403
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESCCn1nc(C(C)C)cc1-c1nc(C2CC2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN5/c1-4-25-18(11-17(23-25)13(2)3)20-22-19(15-7-8-15)24-26(20)12-14-5-9-16(21)10-6-14/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3
InChIKeyMHWUUFXEMADPLC-UHFFFAOYSA-N
XLogP4.35
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole (CID 72853403) is 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole is CCn1nc(C(C)C)cc1-c1nc(C2CC2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The InChIKey is MHWUUFXEMADPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-4-25-18(11-17(23-25)13(2)3)20-22-19(15-7-8-15)24-26(20)12-14-5-9-16(21)10-6-14/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole has a molecular weight of 353.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 72853403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).