1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

C16H14F3N5OS — CID 78873186

IUPAC1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cnn1Cc1ccccc1
InChIInChI=1S/C16H14F3N5OS/c1-2-12-11(8-20-24(12)9-10-6-4-3-5-7-10)13(25)21-15-23-22-14(26-15)16(17,18)19/h3-8H,2,9H2,1H3,(H,21,23,25)
InChIKeyNWLMLMHZJMSEGS-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.62
Rot. Bonds5

About 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 78873186) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
PubChem CID78873186
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cnn1Cc1ccccc1
InChIInChI=1S/C16H14F3N5OS/c1-2-12-11(8-20-24(12)9-10-6-4-3-5-7-10)13(25)21-15-23-22-14(26-15)16(17,18)19/h3-8H,2,9H2,1H3,(H,21,23,25)
InChIKeyNWLMLMHZJMSEGS-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86896503
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78873630
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (CID 78873186) is 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is NWLMLMHZJMSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-2-12-11(8-20-24(12)9-10-6-4-3-5-7-10)13(25)21-15-23-22-14(26-15)16(17,18)19/h3-8H,2,9H2,1H3,(H,21,23,25).
What are the key properties of 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).