N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C24H17ClF3N5OS — CID 2328097

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C24H17ClF3N5OS/c1-13-10-21(33(30-13)19-11-15(24(26,27)28)8-9-18(19)25)29-22(34)20-12-17-14(2)31-32(23(17)35-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,34)
InChIKeyGIMLJALLEJMYNN-UHFFFAOYSA-N
MW515.95 g/mol
LogP6.81
Rot. Bonds4

About N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2328097) has the molecular formula C24H17ClF3N5OS and a molecular weight of 515.95 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2328097
Molecular FormulaC24H17ClF3N5OS
Molecular Weight515.95 g/mol
Exact Mass515.08
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C24H17ClF3N5OS/c1-13-10-21(33(30-13)19-11-15(24(26,27)28)8-9-18(19)25)29-22(34)20-12-17-14(2)31-32(23(17)35-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,34)
InChIKeyGIMLJALLEJMYNN-UHFFFAOYSA-N
XLogP6.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.95
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 2328097) is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GIMLJALLEJMYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5OS/c1-13-10-21(33(30-13)19-11-15(24(26,27)28)8-9-18(19)25)29-22(34)20-12-17-14(2)31-32(23(17)35-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,34).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 515.95 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2328097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).