5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C16H12F3N5O — CID 31245059

IUPAC5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F3N5O/c1-10-13(15(25)23-12-3-2-6-20-8-12)9-22-24(10)14-5-4-11(7-21-14)16(17,18)19/h2-9H,1H3,(H,23,25)
InChIKeyVGSOENJJLACSQW-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.24
Rot. Bonds3

About 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 31245059) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID31245059
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F3N5O/c1-10-13(15(25)23-12-3-2-6-20-8-12)9-22-24(10)14-5-4-11(7-21-14)16(17,18)19/h2-9H,1H3,(H,23,25)
InChIKeyVGSOENJJLACSQW-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 57861407
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CID 118308154
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CID 138753211
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CID 463572
CID 463572
CID 463573
CID 463573
CID 5327611
CID 5327611
CID 53330913
CID 53330913
CID 58548168
CID 58548168
CID 58548263
CID 58548263
CID 58548296
CID 58548296
CID 58548332
CID 58548332
CID 84973158
CID 84973158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 31245059) is 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccnc2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is VGSOENJJLACSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-10-13(15(25)23-12-3-2-6-20-8-12)9-22-24(10)14-5-4-11(7-21-14)16(17,18)19/h2-9H,1H3,(H,23,25).
What are the key properties of 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).