1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

C16H30N4 — CID 79068561

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCn1nc(C)cc1CC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(4,19-9-7-8-10-19)15(17)12-14-11-13(3)18-20(14)6-2/h11,15H,5-10,12,17H2,1-4H3
InChIKeyRNSOQMMFZHNOAW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79068561) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79068561
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCn1nc(C)cc1CC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(4,19-9-7-8-10-19)15(17)12-14-11-13(3)18-20(14)6-2/h11,15H,5-10,12,17H2,1-4H3
InChIKeyRNSOQMMFZHNOAW-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S,5R)-5-(3-cyclohexyl-1-methylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 30734266
(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56703800
1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine
CID 98129382
1,3-dimethyl-5-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248066
1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 82418328
1-[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methanamine dihydrochloride
CID 165949668
3,5-dimethyl-1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 53621252
(3S)-N,1-dimethyl-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
CID 100037021
1-Ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 70851928
5-Propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
CID 134331588
1-(1-Methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331653

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79068561) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is CCn1nc(C)cc1CC(N)C(C)(CC)N1CCCC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is RNSOQMMFZHNOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16(4,19-9-7-8-10-19)15(17)12-14-11-13(3)18-20(14)6-2/h11,15H,5-10,12,17H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79068561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).