N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C17H16F3N7OS — CID 29092780

IUPACN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1Cn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cn1
InChIInChI=1S/C17H16F3N7OS/c1-9-10(6-25(2)23-9)7-27-8-11(5-21-27)22-15(28)13-4-12-14(17(18,19)20)24-26(3)16(12)29-13/h4-6,8H,7H2,1-3H3,(H,22,28)
InChIKeyBLIFUZQCIJQEQA-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.19
Rot. Bonds4

About N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29092780) has the molecular formula C17H16F3N7OS and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29092780
Molecular FormulaC17H16F3N7OS
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1Cn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cn1
InChIInChI=1S/C17H16F3N7OS/c1-9-10(6-25(2)23-9)7-27-8-11(5-21-27)22-15(28)13-4-12-14(17(18,19)20)24-26(3)16(12)29-13/h4-6,8H,7H2,1-3H3,(H,22,28)
InChIKeyBLIFUZQCIJQEQA-UHFFFAOYSA-N
XLogP3.19
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29092780) is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)cc1Cn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cn1.
What is the InChIKey of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BLIFUZQCIJQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7OS/c1-9-10(6-25(2)23-9)7-27-8-11(5-21-27)22-15(28)13-4-12-14(17(18,19)20)24-26(3)16(12)29-13/h4-6,8H,7H2,1-3H3,(H,22,28).
What are the key properties of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29092780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).