N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C24H21F3N4O2S — CID 55512413

IUPACN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C24H21F3N4O2S/c1-16-20(13-29-31(16)22-10-9-18(12-28-22)24(25,26)27)23(32)30(15-19-7-5-11-34-19)14-17-6-3-4-8-21(17)33-2/h3-13H,14-15H2,1-2H3
InChIKeyYARKOPNTRQZMGI-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.51
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55512413) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID55512413
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C24H21F3N4O2S/c1-16-20(13-29-31(16)22-10-9-18(12-28-22)24(25,26)27)23(32)30(15-19-7-5-11-34-19)14-17-6-3-4-8-21(17)33-2/h3-13H,14-15H2,1-2H3
InChIKeyYARKOPNTRQZMGI-UHFFFAOYSA-N
XLogP5.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55512413) is N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is YARKOPNTRQZMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-16-20(13-29-31(16)22-10-9-18(12-28-22)24(25,26)27)23(32)30(15-19-7-5-11-34-19)14-17-6-3-4-8-21(17)33-2/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55512413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).