(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C13H21N3O — CID 95990047

IUPAC(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2
InChIInChI=1S/C13H21N3O/c1-13(2,3)8-5-6-10-9(7-8)11(16-15-10)12(17)14-4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeySHGGTCLXTHBEDY-MRVPVSSYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds1

About (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 95990047) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID95990047
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2
InChIInChI=1S/C13H21N3O/c1-13(2,3)8-5-6-10-9(7-8)11(16-15-10)12(17)14-4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeySHGGTCLXTHBEDY-MRVPVSSYSA-N
XLogP1.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 51597580
(5R)-5-tert-butyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92613857
5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 53015036
N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 50944244
N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049206
(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92628342
5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 114697882
N-[1-(4-chlorophenyl)ethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3770779
(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 46969088
(5R)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136906007
(5R)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 135688555
(5R)-N-[(Z)-1H-indol-3-ylmethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136792569

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 95990047) is (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2.
What is the InChIKey of (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SHGGTCLXTHBEDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)8-5-6-10-9(7-8)11(16-15-10)12(17)14-4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 95990047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).