1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide

C18H28N4O — CID 127500754

IUPAC1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N4O/c23-18(20-16-8-4-5-13-11-19-21-17(13)16)14-9-10-22(12-14)15-6-2-1-3-7-15/h11,14-16H,1-10,12H2,(H,19,21)(H,20,23)
InChIKeyDWNRFTHBTMDFIN-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.56
Rot. Bonds3

About 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide

1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide (PubChem CID 127500754) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
PubChem CID127500754
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N4O/c23-18(20-16-8-4-5-13-11-19-21-17(13)16)14-9-10-22(12-14)15-6-2-1-3-7-15/h11,14-16H,1-10,12H2,(H,19,21)(H,20,23)
InChIKeyDWNRFTHBTMDFIN-UHFFFAOYSA-N
XLogP2.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide (CID 127500754) is 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide is O=C(NC1CCCc2cn[nH]c21)C1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is DWNRFTHBTMDFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(20-16-8-4-5-13-11-19-21-17(13)16)14-9-10-22(12-14)15-6-2-1-3-7-15/h11,14-16H,1-10,12H2,(H,19,21)(H,20,23).
What are the key properties of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 127500754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).