[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

C22H35N4O+ — CID 8996223

IUPAC[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
SMILESCc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C22H34N4O/c1-14(2)12-18-8-10-19(11-9-18)21(15(3)4)23-13-20(27)24-22-16(5)25-26(7)17(22)6/h8-11,14-15,21,23H,12-13H2,1-7H3,(H,24,27)/p+1/t21-/m1/s1
InChIKeyNNONMQLPPVWRII-OAQYLSRUSA-O
MW371.55 g/mol
LogP3.13
Rot. Bonds8

About [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium (PubChem CID 8996223) has the molecular formula C22H35N4O+ and a molecular weight of 371.55 g/mol. Its IUPAC name is [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
PubChem CID8996223
Molecular FormulaC22H35N4O+
Molecular Weight371.55 g/mol
Exact Mass371.28
IUPAC Name[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
SMILESCc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C22H34N4O/c1-14(2)12-18-8-10-19(11-9-18)21(15(3)4)23-13-20(27)24-22-16(5)25-26(7)17(22)6/h8-11,14-15,21,23H,12-13H2,1-7H3,(H,24,27)/p+1/t21-/m1/s1
InChIKeyNNONMQLPPVWRII-OAQYLSRUSA-O
XLogP3.13
TPSA63.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8998539
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132476
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996254
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8651026
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8830344
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992160
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8996903
(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide
CID 9152102
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996261
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9131757
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium?
The IUPAC name of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium (CID 8996223) is [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium is Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium?
The InChIKey is NNONMQLPPVWRII-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H34N4O/c1-14(2)12-18-8-10-19(11-9-18)21(15(3)4)23-13-20(27)24-22-16(5)25-26(7)17(22)6/h8-11,14-15,21,23H,12-13H2,1-7H3,(H,24,27)/p+1/t21-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium?
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium has a molecular weight of 371.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium is sourced from PubChem (CID 8996223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).