3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide

C10H14F2N4O — CID 126483682

IUPAC3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NN2CCCC2)c(C(F)F)n1
InChIInChI=1S/C10H14F2N4O/c1-15-6-7(8(13-15)9(11)12)10(17)14-16-4-2-3-5-16/h6,9H,2-5H2,1H3,(H,14,17)
InChIKeyYCUXCUZNVNCLIW-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.10
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide (PubChem CID 126483682) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide
PubChem CID126483682
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NN2CCCC2)c(C(F)F)n1
InChIInChI=1S/C10H14F2N4O/c1-15-6-7(8(13-15)9(11)12)10(17)14-16-4-2-3-5-16/h6,9H,2-5H2,1H3,(H,14,17)
InChIKeyYCUXCUZNVNCLIW-UHFFFAOYSA-N
XLogP1.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide (CID 126483682) is 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NN2CCCC2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide?
The InChIKey is YCUXCUZNVNCLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-15-6-7(8(13-15)9(11)12)10(17)14-16-4-2-3-5-16/h6,9H,2-5H2,1H3,(H,14,17).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126483682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).