1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole

C26H28FN5O2 — CID 164718650

IUPAC1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole
SMILESCOc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1
InChIInChI=1S/C26H28FN5O2/c1-18(34-17-20-6-4-3-5-7-20)24-12-21(27)10-11-25(24)32-23(14-26(29-32)33-2)13-22-16-31(30-28-22)15-19-8-9-19/h3-7,10-12,14,16,18-19H,8-9,13,15,17H2,1-2H3/t18-/m1/s1
InChIKeySNNXGXHXBUDUNZ-GOSISDBHSA-N
MW461.54 g/mol
LogP4.89
Rot. Bonds10

About 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole

1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole (PubChem CID 164718650) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole
PubChem CID164718650
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole
SMILESCOc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1
InChIInChI=1S/C26H28FN5O2/c1-18(34-17-20-6-4-3-5-7-20)24-12-21(27)10-11-25(24)32-23(14-26(29-32)33-2)13-22-16-31(30-28-22)15-19-8-9-19/h3-7,10-12,14,16,18-19H,8-9,13,15,17H2,1-2H3/t18-/m1/s1
InChIKeySNNXGXHXBUDUNZ-GOSISDBHSA-N
XLogP4.89
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole (CID 164718650) is 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole is COc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole?
The InChIKey is SNNXGXHXBUDUNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-18(34-17-20-6-4-3-5-7-20)24-12-21(27)10-11-25(24)32-23(14-26(29-32)33-2)13-22-16-31(30-28-22)15-19-8-9-19/h3-7,10-12,14,16,18-19H,8-9,13,15,17H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole?
1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole has a molecular weight of 461.54 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole is sourced from PubChem (CID 164718650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).