N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C15H23F2N5O — CID 75435313

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C15H23F2N5O/c16-13(17)11-22-8-4-14(19-22)18-15(23)21-7-3-12(10-21)9-20-5-1-2-6-20/h4,8,12-13H,1-3,5-7,9-11H2,(H,18,19,23)
InChIKeyULISFOPKEHRBDR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 75435313) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID75435313
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C15H23F2N5O/c16-13(17)11-22-8-4-14(19-22)18-15(23)21-7-3-12(10-21)9-20-5-1-2-6-20/h4,8,12-13H,1-3,5-7,9-11H2,(H,18,19,23)
InChIKeyULISFOPKEHRBDR-UHFFFAOYSA-N
XLogP2.10
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 75435313) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccn(CC(F)F)n1)N1CCC(CN2CCCC2)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is ULISFOPKEHRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c16-13(17)11-22-8-4-14(19-22)18-15(23)21-7-3-12(10-21)9-20-5-1-2-6-20/h4,8,12-13H,1-3,5-7,9-11H2,(H,18,19,23).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75435313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).