1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide

C19H26N4O2 — CID 94649400

IUPAC1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H26N4O2/c1-11-17(12(2)23(22-11)19(3,4)5)18(25)21-15-8-6-7-14-13(15)9-10-16(24)20-14/h9-10,15H,6-8H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyUFOWEACYNZKZKR-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds2

About 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide

1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide (PubChem CID 94649400) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide
PubChem CID94649400
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H26N4O2/c1-11-17(12(2)23(22-11)19(3,4)5)18(25)21-15-8-6-7-14-13(15)9-10-16(24)20-14/h9-10,15H,6-8H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyUFOWEACYNZKZKR-HNNXBMFYSA-N
XLogP2.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008161
1-tert-butyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 71893582
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132
2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
CID 95313899
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555731
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555730
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 39546539

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide (CID 94649400) is 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide is Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide?
The InChIKey is UFOWEACYNZKZKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11-17(12(2)23(22-11)19(3,4)5)18(25)21-15-8-6-7-14-13(15)9-10-16(24)20-14/h9-10,15H,6-8H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide?
1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 94649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).