N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide

C14H15F3N4OS — CID 19931839

IUPACN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H15F3N4OS/c1-3-20(4-2)13(22)21-8-7-12(19-21)23-11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3
InChIKeyALJTWUGWOHRVHW-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.76
Rot. Bonds4

About N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide

N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide (PubChem CID 19931839) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide
PubChem CID19931839
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H15F3N4OS/c1-3-20(4-2)13(22)21-8-7-12(19-21)23-11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3
InChIKeyALJTWUGWOHRVHW-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide (CID 19931839) is N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(Sc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide?
The InChIKey is ALJTWUGWOHRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-3-20(4-2)13(22)21-8-7-12(19-21)23-11-6-5-10(9-18-11)14(15,16)17/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide?
N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazole-1-carboxamide is sourced from PubChem (CID 19931839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).