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

C17H17ClFN5O3 — CID 121483988

IUPACN-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3=O)c2C1
InChIInChI=1S/C17H17ClFN5O3/c18-12-7-11(1-2-13(12)19)21-17(26)22-3-4-24-15(9-22)14(8-20-24)23-5-6-27-10-16(23)25/h1-2,7-8H,3-6,9-10H2,(H,21,26)
InChIKeyCWSHAKVJTJQHTH-UHFFFAOYSA-N
MW393.81 g/mol
LogP2.09
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483988) has the molecular formula C17H17ClFN5O3 and a molecular weight of 393.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121483988
Molecular FormulaC17H17ClFN5O3
Molecular Weight393.81 g/mol
Exact Mass393.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3=O)c2C1
InChIInChI=1S/C17H17ClFN5O3/c18-12-7-11(1-2-13(12)19)21-17(26)22-3-4-24-15(9-22)14(8-20-24)23-5-6-27-10-16(23)25/h1-2,7-8H,3-6,9-10H2,(H,21,26)
InChIKeyCWSHAKVJTJQHTH-UHFFFAOYSA-N
XLogP2.09
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483988) is N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3=O)c2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CWSHAKVJTJQHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O3/c18-12-7-11(1-2-13(12)19)21-17(26)22-3-4-24-15(9-22)14(8-20-24)23-5-6-27-10-16(23)25/h1-2,7-8H,3-6,9-10H2,(H,21,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 393.81 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).