(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C17H20ClN3O2 — CID 97087225

IUPAC(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCCc2cn[nH]c21)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11(23-14-7-5-13(18)6-8-14)9-19-17(22)15-4-2-3-12-10-20-21-16(12)15/h5-8,10-11,15H,2-4,9H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m1/s1
InChIKeyRCVSSRRRYYYQOU-IAQYHMDHSA-N
MW333.82 g/mol
LogP3.07
Rot. Bonds5

About (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 97087225) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID97087225
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCCc2cn[nH]c21)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-11(23-14-7-5-13(18)6-8-14)9-19-17(22)15-4-2-3-12-10-20-21-16(12)15/h5-8,10-11,15H,2-4,9H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m1/s1
InChIKeyRCVSSRRRYYYQOU-IAQYHMDHSA-N
XLogP3.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 97087225) is (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is C[C@H](CNC(=O)[C@@H]1CCCc2cn[nH]c21)Oc1ccc(Cl)cc1.
What is the InChIKey of (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is RCVSSRRRYYYQOU-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(23-14-7-5-13(18)6-8-14)9-19-17(22)15-4-2-3-12-10-20-21-16(12)15/h5-8,10-11,15H,2-4,9H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m1/s1.
What are the key properties of (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 97087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).