3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide

C14H14ClF3N4O3S — CID 19931906

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H14ClF3N4O3S/c1-3-21(4-2)13(23)22-6-5-11(20-22)26(24,25)12-10(15)7-9(8-19-12)14(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyWHVXWGXPMMFCQN-UHFFFAOYSA-N
MW410.81 g/mol
LogP3.09
Rot. Bonds4

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide (PubChem CID 19931906) has the molecular formula C14H14ClF3N4O3S and a molecular weight of 410.81 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide
PubChem CID19931906
Molecular FormulaC14H14ClF3N4O3S
Molecular Weight410.81 g/mol
Exact Mass410.04
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H14ClF3N4O3S/c1-3-21(4-2)13(23)22-6-5-11(20-22)26(24,25)12-10(15)7-9(8-19-12)14(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyWHVXWGXPMMFCQN-UHFFFAOYSA-N
XLogP3.09
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide (CID 19931906) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide?
The InChIKey is WHVXWGXPMMFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O3S/c1-3-21(4-2)13(23)22-6-5-11(20-22)26(24,25)12-10(15)7-9(8-19-12)14(16,17)18/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide has a molecular weight of 410.81 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-N,N-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 19931906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).