5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole

C26H25F3N4O — CID 164718542

IUPAC5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole
SMILESFc1ccc(-n2nc(C(F)F)cc2Cc2cnn(CC3CC3)c2)c(COCc2ccccc2)c1
InChIInChI=1S/C26H25F3N4O/c27-22-8-9-25(21(11-22)17-34-16-19-4-2-1-3-5-19)33-23(12-24(31-33)26(28)29)10-20-13-30-32(15-20)14-18-6-7-18/h1-5,8-9,11-13,15,18,26H,6-7,10,14,16-17H2
InChIKeyRCAZGKSFBIUQSJ-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.86
Rot. Bonds10

About 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole

5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole (PubChem CID 164718542) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole
PubChem CID164718542
Molecular FormulaC26H25F3N4O
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole
SMILESFc1ccc(-n2nc(C(F)F)cc2Cc2cnn(CC3CC3)c2)c(COCc2ccccc2)c1
InChIInChI=1S/C26H25F3N4O/c27-22-8-9-25(21(11-22)17-34-16-19-4-2-1-3-5-19)33-23(12-24(31-33)26(28)29)10-20-13-30-32(15-20)14-18-6-7-18/h1-5,8-9,11-13,15,18,26H,6-7,10,14,16-17H2
InChIKeyRCAZGKSFBIUQSJ-UHFFFAOYSA-N
XLogP5.86
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)pyrazole-4-carbaldehyde;[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol;3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole
CID 165063054
3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole
CID 164719603
[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 164718860
1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
CID 164997644
1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-(1-phenylmethoxyethyl)phenyl]-3-methoxypyrazol-5-yl]methyl]triazole
CID 175413215
5-bromo-3-[(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 164719548
1-[2-[5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanone
CID 164988833
2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol
CID 169193040
5-bromo-3-[1-[2-[4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]-1-deuterioethoxy]pyridin-2-amine
CID 169193065
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
5-bromo-3-[(1S)-1-[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazol-4-yl]-5-fluorophenyl]ethoxy]-2-methylpyridine
CID 167278882
5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]-2-methylpyridine
CID 167278839

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole?
The IUPAC name of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole (CID 164718542) is 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole.
What is the SMILES notation for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole?
The canonical SMILES for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole is Fc1ccc(-n2nc(C(F)F)cc2Cc2cnn(CC3CC3)c2)c(COCc2ccccc2)c1.
What is the InChIKey of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole?
The InChIKey is RCAZGKSFBIUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c27-22-8-9-25(21(11-22)17-34-16-19-4-2-1-3-5-19)33-23(12-24(31-33)26(28)29)10-20-13-30-32(15-20)14-18-6-7-18/h1-5,8-9,11-13,15,18,26H,6-7,10,14,16-17H2.
What are the key properties of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole?
5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole has a molecular weight of 466.51 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazole is sourced from PubChem (CID 164718542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).