(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol

C25H27FN4O3 — CID 164718798

IUPAC(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol
SMILESCCn1cc(C(O)c2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)cn1
InChIInChI=1S/C25H27FN4O3/c1-4-29-15-19(14-27-29)25(31)23-13-24(32-3)28-30(23)22-11-10-20(26)12-21(22)17(2)33-16-18-8-6-5-7-9-18/h5-15,17,25,31H,4,16H2,1-3H3/t17-,25?/m1/s1
InChIKeyOMAPICWIOAAPDK-SMFUYQKNSA-N
MW450.51 g/mol
LogP4.60
Rot. Bonds9

About (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol

(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol (PubChem CID 164718798) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol
PubChem CID164718798
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol
SMILESCCn1cc(C(O)c2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)cn1
InChIInChI=1S/C25H27FN4O3/c1-4-29-15-19(14-27-29)25(31)23-13-24(32-3)28-30(23)22-11-10-20(26)12-21(22)17(2)33-16-18-8-6-5-7-9-18/h5-15,17,25,31H,4,16H2,1-3H3/t17-,25?/m1/s1
InChIKeyOMAPICWIOAAPDK-SMFUYQKNSA-N
XLogP4.60
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol (CID 164718798) is (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol is CCn1cc(C(O)c2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?
The InChIKey is OMAPICWIOAAPDK-SMFUYQKNSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-4-29-15-19(14-27-29)25(31)23-13-24(32-3)28-30(23)22-11-10-20(26)12-21(22)17(2)33-16-18-8-6-5-7-9-18/h5-15,17,25,31H,4,16H2,1-3H3/t17-,25?/m1/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?
(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol has a molecular weight of 450.51 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 164718798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).