2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C18H20N6O3 — CID 134452683

IUPAC2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1cc2nc(Nc3ccccc3[N+](=O)[O-])cc(N3CCOCC3)n2n1
InChIInChI=1S/C18H20N6O3/c1-2-13-11-17-20-16(19-14-5-3-4-6-15(14)24(25)26)12-18(23(17)21-13)22-7-9-27-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyKTPCASJRJZGSNH-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.78
Rot. Bonds5

About 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134452683) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134452683
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1cc2nc(Nc3ccccc3[N+](=O)[O-])cc(N3CCOCC3)n2n1
InChIInChI=1S/C18H20N6O3/c1-2-13-11-17-20-16(19-14-5-3-4-6-15(14)24(25)26)12-18(23(17)21-13)22-7-9-27-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyKTPCASJRJZGSNH-UHFFFAOYSA-N
XLogP2.78
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 134452683) is 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is CCc1cc2nc(Nc3ccccc3[N+](=O)[O-])cc(N3CCOCC3)n2n1.
What is the InChIKey of 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KTPCASJRJZGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-2-13-11-17-20-16(19-14-5-3-4-6-15(14)24(25)26)12-18(23(17)21-13)22-7-9-27-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 368.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-morpholin-4-yl-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134452683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).