1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol

C21H21F5N4O — CID 68668567

IUPAC1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCc1[nH]c(CC(O)(c2ccc(-n3cccn3)cc2)C(F)F)nc1CC1(C(F)(F)F)CC1
InChIInChI=1S/C21H21F5N4O/c1-13-16(11-19(7-8-19)21(24,25)26)29-17(28-13)12-20(31,18(22)23)14-3-5-15(6-4-14)30-10-2-9-27-30/h2-6,9-10,18,31H,7-8,11-12H2,1H3,(H,28,29)
InChIKeyHFGLMQVKPBALCF-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.48
Rot. Bonds7

About 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol

1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol (PubChem CID 68668567) has the molecular formula C21H21F5N4O and a molecular weight of 440.42 g/mol. Its IUPAC name is 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
PubChem CID68668567
Molecular FormulaC21H21F5N4O
Molecular Weight440.42 g/mol
Exact Mass440.16
IUPAC Name1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCc1[nH]c(CC(O)(c2ccc(-n3cccn3)cc2)C(F)F)nc1CC1(C(F)(F)F)CC1
InChIInChI=1S/C21H21F5N4O/c1-13-16(11-19(7-8-19)21(24,25)26)29-17(28-13)12-20(31,18(22)23)14-3-5-15(6-4-14)30-10-2-9-27-30/h2-6,9-10,18,31H,7-8,11-12H2,1H3,(H,28,29)
InChIKeyHFGLMQVKPBALCF-UHFFFAOYSA-N
XLogP4.48
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol (CID 68668567) is 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol is Cc1[nH]c(CC(O)(c2ccc(-n3cccn3)cc2)C(F)F)nc1CC1(C(F)(F)F)CC1.
What is the InChIKey of 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
The InChIKey is HFGLMQVKPBALCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F5N4O/c1-13-16(11-19(7-8-19)21(24,25)26)29-17(28-13)12-20(31,18(22)23)14-3-5-15(6-4-14)30-10-2-9-27-30/h2-6,9-10,18,31H,7-8,11-12H2,1H3,(H,28,29).
What are the key properties of 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol has a molecular weight of 440.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 68668567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).