N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C17H17ClFN5O2 — CID 121484585

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3=O)c2C1
InChIInChI=1S/C17H17ClFN5O2/c18-12-8-11(3-4-13(12)19)21-17(26)22-6-7-24-15(10-22)14(9-20-24)23-5-1-2-16(23)25/h3-4,8-9H,1-2,5-7,10H2,(H,21,26)
InChIKeySXAYOAFAEAQLAX-UHFFFAOYSA-N
MW377.81 g/mol
LogP2.85
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484585) has the molecular formula C17H17ClFN5O2 and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484585
Molecular FormulaC17H17ClFN5O2
Molecular Weight377.81 g/mol
Exact Mass377.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3=O)c2C1
InChIInChI=1S/C17H17ClFN5O2/c18-12-8-11(3-4-13(12)19)21-17(26)22-6-7-24-15(10-22)14(9-20-24)23-5-1-2-16(23)25/h3-4,8-9H,1-2,5-7,10H2,(H,21,26)
InChIKeySXAYOAFAEAQLAX-UHFFFAOYSA-N
XLogP2.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484585) is N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3=O)c2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SXAYOAFAEAQLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2/c18-12-8-11(3-4-13(12)19)21-17(26)22-6-7-24-15(10-22)14(9-20-24)23-5-1-2-16(23)25/h3-4,8-9H,1-2,5-7,10H2,(H,21,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).