1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide

C16H21F3N6O3S — CID 17024944

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cnn1C
InChIInChI=1S/C16H21F3N6O3S/c1-11-14(7-20-23(11)2)29(27,28)25-5-3-4-12(8-25)15(26)22-13-6-21-24(9-13)10-16(17,18)19/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,22,26)
InChIKeyVYLRARYNRSBSFH-UHFFFAOYSA-N
MW434.44 g/mol
LogP1.53
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 17024944) has the molecular formula C16H21F3N6O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID17024944
Molecular FormulaC16H21F3N6O3S
Molecular Weight434.44 g/mol
Exact Mass434.13
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cnn1C
InChIInChI=1S/C16H21F3N6O3S/c1-11-14(7-20-23(11)2)29(27,28)25-5-3-4-12(8-25)15(26)22-13-6-21-24(9-13)10-16(17,18)19/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,22,26)
InChIKeyVYLRARYNRSBSFH-UHFFFAOYSA-N
XLogP1.53
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 17024944) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide is Cc1c(S(=O)(=O)N2CCCC(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is VYLRARYNRSBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O3S/c1-11-14(7-20-23(11)2)29(27,28)25-5-3-4-12(8-25)15(26)22-13-6-21-24(9-13)10-16(17,18)19/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,22,26).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 17024944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).