[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

C18H23F3N4O3S — CID 22499646

IUPAC[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CO)c2NCC2CCCCC2)cn1
InChIInChI=1S/C18H23F3N4O3S/c1-29(27,28)15-8-7-13(10-22-15)25-17(23-9-12-5-3-2-4-6-12)14(11-26)16(24-25)18(19,20)21/h7-8,10,12,23,26H,2-6,9,11H2,1H3
InChIKeyGECMFQYJQMSGPX-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.17
Rot. Bonds6

About [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 22499646) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID22499646
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC Name[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CO)c2NCC2CCCCC2)cn1
InChIInChI=1S/C18H23F3N4O3S/c1-29(27,28)15-8-7-13(10-22-15)25-17(23-9-12-5-3-2-4-6-12)14(11-26)16(24-25)18(19,20)21/h7-8,10,12,23,26H,2-6,9,11H2,1H3
InChIKeyGECMFQYJQMSGPX-UHFFFAOYSA-N
XLogP3.17
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499661
1-[5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499765
5-(benzylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 22499566
1-[5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499538
N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
CID 43675328
N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499695
5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde
CID 22499660
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
4-[2-[4-(6-methylsulfonyl-3-pyridinyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 141165035
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
CID 133486919
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
2-cyclohexyloxy-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
CID 99707391

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 22499646) is [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CO)c2NCC2CCCCC2)cn1.
What is the InChIKey of [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is GECMFQYJQMSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3S/c1-29(27,28)15-8-7-13(10-22-15)25-17(23-9-12-5-3-2-4-6-12)14(11-26)16(24-25)18(19,20)21/h7-8,10,12,23,26H,2-6,9,11H2,1H3.
What are the key properties of [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 432.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 22499646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).