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

C16H15N5O2 — CID 135403026

IUPAC1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O2/c1-23-10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)
InChIKeySJCAIGIQEIAUQR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.47
Rot. Bonds3

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

1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403026) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403026
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O2/c1-23-10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)
InChIKeySJCAIGIQEIAUQR-UHFFFAOYSA-N
XLogP1.47
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403026) is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is SJCAIGIQEIAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19).
What are the key properties of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).