1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C19H19N5O3 — CID 135403047

IUPAC1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESC=CCONC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C19H19N5O3/c1-3-10-27-23-19(25)17-14-8-9-16-15(11-20-21-16)18(14)24(22-17)12-4-6-13(26-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,20,21)(H,23,25)
InChIKeyJRTGMBDUUMBMPQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.22
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403047) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403047
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESC=CCONC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C19H19N5O3/c1-3-10-27-23-19(25)17-14-8-9-16-15(11-20-21-16)18(14)24(22-17)12-4-6-13(26-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,20,21)(H,23,25)
InChIKeyJRTGMBDUUMBMPQ-UHFFFAOYSA-N
XLogP2.22
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403047) is 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is C=CCONC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is JRTGMBDUUMBMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-10-27-23-19(25)17-14-8-9-16-15(11-20-21-16)18(14)24(22-17)12-4-6-13(26-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,20,21)(H,23,25).
What are the key properties of 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-prop-2-enoxy-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).