3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate

C13H17N5O4 — CID 175445705

IUPAC3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate
SMILESCOc1ccnc(OCCCOC(N)=O)c1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N5O4/c1-20-9-3-4-16-12(21-5-2-6-22-13(15)19)11(9)8-7-10(14)18-17-8/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H3,14,17,18)
InChIKeyLOLWHNNJIUXZPX-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.93
Rot. Bonds7

About 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate

3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate (PubChem CID 175445705) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate.

Molecular Properties

Compound Name3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate
PubChem CID175445705
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate
SMILESCOc1ccnc(OCCCOC(N)=O)c1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N5O4/c1-20-9-3-4-16-12(21-5-2-6-22-13(15)19)11(9)8-7-10(14)18-17-8/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H3,14,17,18)
InChIKeyLOLWHNNJIUXZPX-UHFFFAOYSA-N
XLogP0.93
TPSA138.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate?
The IUPAC name of 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate (CID 175445705) is 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate.
What is the SMILES notation for 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate?
The canonical SMILES for 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate is COc1ccnc(OCCCOC(N)=O)c1-c1cc(N)n[nH]1.
What is the InChIKey of 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate?
The InChIKey is LOLWHNNJIUXZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-20-9-3-4-16-12(21-5-2-6-22-13(15)19)11(9)8-7-10(14)18-17-8/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H3,14,17,18).
What are the key properties of 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate?
3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate has a molecular weight of 307.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate is sourced from PubChem (CID 175445705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).