4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole

C22H19F2N5 — CID 175710292

IUPAC4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole
SMILESFc1ccc(F)c(-n2ncc(Cc3cc(C4CC4)c4n[nH]nc4c3)c2C2CC2)c1
InChIInChI=1S/C22H19F2N5/c23-16-5-6-18(24)20(10-16)29-22(14-3-4-14)15(11-25-29)7-12-8-17(13-1-2-13)21-19(9-12)26-28-27-21/h5-6,8-11,13-14H,1-4,7H2,(H,26,27,28)
InChIKeyCEAOVEZWNNRYLQ-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.77
Rot. Bonds5

About 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole

4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole (PubChem CID 175710292) has the molecular formula C22H19F2N5 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole.

Molecular Properties

Compound Name4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole
PubChem CID175710292
Molecular FormulaC22H19F2N5
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole
SMILESFc1ccc(F)c(-n2ncc(Cc3cc(C4CC4)c4n[nH]nc4c3)c2C2CC2)c1
InChIInChI=1S/C22H19F2N5/c23-16-5-6-18(24)20(10-16)29-22(14-3-4-14)15(11-25-29)7-12-8-17(13-1-2-13)21-19(9-12)26-28-27-21/h5-6,8-11,13-14H,1-4,7H2,(H,26,27,28)
InChIKeyCEAOVEZWNNRYLQ-UHFFFAOYSA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229
4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
CID 66437096
4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567478
5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
CID 28606361
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126586035
1-[4-chloro-2-(fluoromethyl)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 22267607
N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441275
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole
CID 166048324
4-bromo-5-cyclopropyl-2-(2,5-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrazol-3-one
CID 68680234

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole?
The IUPAC name of 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole (CID 175710292) is 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole.
What is the SMILES notation for 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole?
The canonical SMILES for 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole is Fc1ccc(F)c(-n2ncc(Cc3cc(C4CC4)c4n[nH]nc4c3)c2C2CC2)c1.
What is the InChIKey of 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole?
The InChIKey is CEAOVEZWNNRYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5/c23-16-5-6-18(24)20(10-16)29-22(14-3-4-14)15(11-25-29)7-12-8-17(13-1-2-13)21-19(9-12)26-28-27-21/h5-6,8-11,13-14H,1-4,7H2,(H,26,27,28).
What are the key properties of 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole?
4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole has a molecular weight of 391.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole is sourced from PubChem (CID 175710292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).