3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide

C15H17N5O2 — CID 137216789

IUPAC3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc2c(c1)NCC(c1[nH]nc(N)c1C(N)=O)=C2
InChIInChI=1S/C15H17N5O2/c1-2-22-10-4-3-8-5-9(7-18-11(8)6-10)13-12(15(17)21)14(16)20-19-13/h3-6,18H,2,7H2,1H3,(H2,17,21)(H3,16,19,20)
InChIKeyAWTVRZOMCVJWOI-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide

3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 137216789) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID137216789
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc2c(c1)NCC(c1[nH]nc(N)c1C(N)=O)=C2
InChIInChI=1S/C15H17N5O2/c1-2-22-10-4-3-8-5-9(7-18-11(8)6-10)13-12(15(17)21)14(16)20-19-13/h3-6,18H,2,7H2,1H3,(H2,17,21)(H3,16,19,20)
InChIKeyAWTVRZOMCVJWOI-UHFFFAOYSA-N
XLogP1.46
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide (CID 137216789) is 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide is CCOc1ccc2c(c1)NCC(c1[nH]nc(N)c1C(N)=O)=C2.
What is the InChIKey of 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AWTVRZOMCVJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-22-10-4-3-8-5-9(7-18-11(8)6-10)13-12(15(17)21)14(16)20-19-13/h3-6,18H,2,7H2,1H3,(H2,17,21)(H3,16,19,20).
What are the key properties of 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide?
3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 137216789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).