N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine

C20H32ClN5O — CID 166083433

IUPACN-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCC(CNCCC(C)(C)C)C2)no1
InChIInChI=1S/C20H32ClN5O/c1-14-10-17(24-27-14)18-16(19(21)25(5)23-18)13-26-9-6-15(12-26)11-22-8-7-20(2,3)4/h10,15,22H,6-9,11-13H2,1-5H3
InChIKeyAZEOJJXHGPKFLP-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.88
Rot. Bonds7

About N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine

N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine (PubChem CID 166083433) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine
PubChem CID166083433
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC NameN-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCC(CNCCC(C)(C)C)C2)no1
InChIInChI=1S/C20H32ClN5O/c1-14-10-17(24-27-14)18-16(19(21)25(5)23-18)13-26-9-6-15(12-26)11-22-8-7-20(2,3)4/h10,15,22H,6-9,11-13H2,1-5H3
InChIKeyAZEOJJXHGPKFLP-UHFFFAOYSA-N
XLogP3.88
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine with MolForge

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Related Compounds

N-benzyl-1-[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 166083533
1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-(3-methylbutyl)pyrrolidin-3-amine
CID 166083457
3-[5-chloro-4-[[9-(3,3-dimethylbutyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083536
3-[5-chloro-4-[[(5R)-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083572
3-[5-chloro-4-[[2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083687
3-[5-chloro-4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 131941768
5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 166083436
(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56718099
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
(3R)-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95872677
7-chloro-4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 131906861
3-[5-chloro-1-methyl-4-[[2-(2-phenylethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083689

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine (CID 166083433) is N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine is Cc1cc(-c2nn(C)c(Cl)c2CN2CCC(CNCCC(C)(C)C)C2)no1.
What is the InChIKey of N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is AZEOJJXHGPKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-14-10-17(24-27-14)18-16(19(21)25(5)23-18)13-26-9-6-15(12-26)11-22-8-7-20(2,3)4/h10,15,22H,6-9,11-13H2,1-5H3.
What are the key properties of N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine?
N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 393.96 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 166083433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).