(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C15H26N4O — CID 28737608

IUPAC(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN(CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC)C1
InChIInChI=1S/C15H26N4O/c1-5-18(6-2)11-8-9-13-12(10-11)14(15(20)16-4)17-19(13)7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyKCBMWLSAUPEVMD-NSHDSACASA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds5

About (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 28737608) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID28737608
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN(CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC)C1
InChIInChI=1S/C15H26N4O/c1-5-18(6-2)11-8-9-13-12(10-11)14(15(20)16-4)17-19(13)7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyKCBMWLSAUPEVMD-NSHDSACASA-N
XLogP1.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 28737608) is (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCN(CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC)C1.
What is the InChIKey of (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is KCBMWLSAUPEVMD-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-18(6-2)11-8-9-13-12(10-11)14(15(20)16-4)17-19(13)7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 28737608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).