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

C14H17F3N4OS — CID 56702572

IUPAC1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)C1
InChIInChI=1S/C14H17F3N4OS/c1-20-4-3-8(7-20)6-18-12(22)10-5-9-11(14(15,16)17)19-21(2)13(9)23-10/h5,8H,3-4,6-7H2,1-2H3,(H,18,22)
InChIKeyUUFACCCQTXARIB-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.34
Rot. Bonds3

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

1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 56702572) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID56702572
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)C1
InChIInChI=1S/C14H17F3N4OS/c1-20-4-3-8(7-20)6-18-12(22)10-5-9-11(14(15,16)17)19-21(2)13(9)23-10/h5,8H,3-4,6-7H2,1-2H3,(H,18,22)
InChIKeyUUFACCCQTXARIB-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 56702572) is 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CN1CCC(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)C1.
What is the InChIKey of 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UUFACCCQTXARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-20-4-3-8(7-20)6-18-12(22)10-5-9-11(14(15,16)17)19-21(2)13(9)23-10/h5,8H,3-4,6-7H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 56702572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).