N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide

C19H23F2N5O2 — CID 154799834

IUPACN-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccn(CC(F)F)n2)C1)c1cc2c([nH]1)CCC2
InChIInChI=1S/C19H23F2N5O2/c20-17(21)11-26-7-5-15(24-26)19(28)25-6-4-12(10-25)9-22-18(27)16-8-13-2-1-3-14(13)23-16/h5,7-8,12,17,23H,1-4,6,9-11H2,(H,22,27)
InChIKeyGRWPYTYIGRZBAX-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.86
Rot. Bonds6

About N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide

N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide (PubChem CID 154799834) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
PubChem CID154799834
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC NameN-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccn(CC(F)F)n2)C1)c1cc2c([nH]1)CCC2
InChIInChI=1S/C19H23F2N5O2/c20-17(21)11-26-7-5-15(24-26)19(28)25-6-4-12(10-25)9-22-18(27)16-8-13-2-1-3-14(13)23-16/h5,7-8,12,17,23H,1-4,6,9-11H2,(H,22,27)
InChIKeyGRWPYTYIGRZBAX-UHFFFAOYSA-N
XLogP1.86
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide (CID 154799834) is N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide is O=C(NCC1CCN(C(=O)c2ccn(CC(F)F)n2)C1)c1cc2c([nH]1)CCC2.
What is the InChIKey of N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is GRWPYTYIGRZBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c20-17(21)11-26-7-5-15(24-26)19(28)25-6-4-12(10-25)9-22-18(27)16-8-13-2-1-3-14(13)23-16/h5,7-8,12,17,23H,1-4,6,9-11H2,(H,22,27).
What are the key properties of N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 154799834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).