1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

C19H15ClF3N5O — CID 101497117

IUPAC1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C19H15ClF3N5O/c1-10-15(16(24)28(27-10)12-6-4-5-11(20)9-12)18(29,19(21,22)23)17-25-13-7-2-3-8-14(13)26-17/h2-9,29H,24H2,1H3,(H,25,26)
InChIKeyVAFPQNNDMZGIAU-UHFFFAOYSA-N
MW421.81 g/mol
LogP4.09
Rot. Bonds3

About 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 101497117) has the molecular formula C19H15ClF3N5O and a molecular weight of 421.81 g/mol. Its IUPAC name is 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID101497117
Molecular FormulaC19H15ClF3N5O
Molecular Weight421.81 g/mol
Exact Mass421.09
IUPAC Name1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C19H15ClF3N5O/c1-10-15(16(24)28(27-10)12-6-4-5-11(20)9-12)18(29,19(21,22)23)17-25-13-7-2-3-8-14(13)26-17/h2-9,29H,24H2,1H3,(H,25,26)
InChIKeyVAFPQNNDMZGIAU-UHFFFAOYSA-N
XLogP4.09
TPSA92.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497115
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
CID 2393055
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 2438814
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
(2S)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-ol
CID 2478649
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
1H-benzimidazol-2-yl(difluoro)methanesulfonate
CID 5047631
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (CID 101497117) is 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is Cc1nn(-c2cccc(Cl)c2)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is VAFPQNNDMZGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O/c1-10-15(16(24)28(27-10)12-6-4-5-11(20)9-12)18(29,19(21,22)23)17-25-13-7-2-3-8-14(13)26-17/h2-9,29H,24H2,1H3,(H,25,26).
What are the key properties of 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 421.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 101497117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).