1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

C15H27ClN4 — CID 79068946

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1c(Cl)c(C)nn1C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-15(3,20-8-6-7-9-20)13(17)10-12-14(16)11(2)18-19(12)4/h13H,5-10,17H2,1-4H3
InChIKeyMBVITGDECGTVRI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79068946) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79068946
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1c(Cl)c(C)nn1C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-15(3,20-8-6-7-9-20)13(17)10-12-14(16)11(2)18-19(12)4/h13H,5-10,17H2,1-4H3
InChIKeyMBVITGDECGTVRI-UHFFFAOYSA-N
XLogP2.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056546
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059856
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-amine
CID 79196955
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79751932
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068561
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-amine
CID 103027416
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79060447
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79974141
5-[2-(bromomethyl)-3,3-dimethylbutyl]-4-chloro-1,3-dimethylpyrazole
CID 83141707
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139494
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79068946) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is CCC(C)(C(N)Cc1c(Cl)c(C)nn1C)N1CCCC1.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is MBVITGDECGTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-15(3,20-8-6-7-9-20)13(17)10-12-14(16)11(2)18-19(12)4/h13H,5-10,17H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 298.86 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79068946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).