3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

C18H17N3O2 — CID 136609413

IUPAC3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
SMILESCC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)O)cc4c32)C1
InChIInChI=1S/C18H17N3O2/c1-9-5-18(6-9)7-11-8-19-21-15(11)16-14(18)12-4-10(17(22)23)2-3-13(12)20-16/h2-4,8-9,20H,5-7H2,1H3,(H,19,21)(H,22,23)
InChIKeyDRZUETTUIDBVJE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.48
Rot. Bonds1

About 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (PubChem CID 136609413) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.

Molecular Properties

Compound Name3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
PubChem CID136609413
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
SMILESCC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)O)cc4c32)C1
InChIInChI=1S/C18H17N3O2/c1-9-5-18(6-9)7-11-8-19-21-15(11)16-14(18)12-4-10(17(22)23)2-3-13(12)20-16/h2-4,8-9,20H,5-7H2,1H3,(H,19,21)(H,22,23)
InChIKeyDRZUETTUIDBVJE-UHFFFAOYSA-N
XLogP3.48
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?
The IUPAC name of 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (CID 136609413) is 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.
What is the SMILES notation for 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?
The canonical SMILES for 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)O)cc4c32)C1.
What is the InChIKey of 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?
The InChIKey is DRZUETTUIDBVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-9-5-18(6-9)7-11-8-19-21-15(11)16-14(18)12-4-10(17(22)23)2-3-13(12)20-16/h2-4,8-9,20H,5-7H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?
3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is sourced from PubChem (CID 136609413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).