1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

C15H22F3N5O2S — CID 51853506

IUPAC1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H22F3N5O2S/c1-5-12(23-10(2)8-14(21-23)15(16,17)18)6-7-20-26(24,25)13-9-19-22(4)11(13)3/h8-9,12,20H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyOTPQADQBHPKDNC-LBPRGKRZSA-N
MW393.44 g/mol
LogP2.57
Rot. Bonds7

About 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (PubChem CID 51853506) has the molecular formula C15H22F3N5O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
PubChem CID51853506
Molecular FormulaC15H22F3N5O2S
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H22F3N5O2S/c1-5-12(23-10(2)8-14(21-23)15(16,17)18)6-7-20-26(24,25)13-9-19-22(4)11(13)3/h8-9,12,20H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyOTPQADQBHPKDNC-LBPRGKRZSA-N
XLogP2.57
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (CID 51853506) is 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is CC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The InChIKey is OTPQADQBHPKDNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22F3N5O2S/c1-5-12(23-10(2)8-14(21-23)15(16,17)18)6-7-20-26(24,25)13-9-19-22(4)11(13)3/h8-9,12,20H,5-7H2,1-4H3/t12-/m0/s1.
What are the key properties of 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide has a molecular weight of 393.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).