ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate

C14H17N3O2 — CID 67336209

IUPACethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc3[nH]ncc3c2)CCC1
InChIInChI=1S/C14H17N3O2/c1-2-19-13(18)14(6-3-7-14)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyWOAQKTNKPRXOEC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds4

About ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate

ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate (PubChem CID 67336209) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate
PubChem CID67336209
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc3[nH]ncc3c2)CCC1
InChIInChI=1S/C14H17N3O2/c1-2-19-13(18)14(6-3-7-14)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyWOAQKTNKPRXOEC-UHFFFAOYSA-N
XLogP2.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate (CID 67336209) is ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate is CCOC(=O)C1(Nc2ccc3[nH]ncc3c2)CCC1.
What is the InChIKey of ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate?
The InChIKey is WOAQKTNKPRXOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-13(18)14(6-3-7-14)16-11-4-5-12-10(8-11)9-15-17-12/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate?
ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 67336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).