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

C17H19ClFN5O2 — CID 121484356

IUPACN-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3)c2C1
InChIInChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)21-17(25)23-3-4-24-16(11-23)15(10-20-24)22-5-7-26-8-6-22/h1-2,9-10H,3-8,11H2,(H,21,25)
InChIKeyAJUWIXOXEBQICP-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.56
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484356) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484356
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3)c2C1
InChIInChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)21-17(25)23-3-4-24-16(11-23)15(10-20-24)22-5-7-26-8-6-22/h1-2,9-10H,3-8,11H2,(H,21,25)
InChIKeyAJUWIXOXEBQICP-UHFFFAOYSA-N
XLogP2.56
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.56
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-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484356) is N-(3-chloro-4-fluorophenyl)-3-morpholin-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-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCOCC3)c2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is AJUWIXOXEBQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)21-17(25)23-3-4-24-16(11-23)15(10-20-24)22-5-7-26-8-6-22/h1-2,9-10H,3-8,11H2,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.56, 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-morpholin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).