N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

C15H28N4 — CID 95319664

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4/c1-5-18-9-7-8-14(18)10-16-11-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyIQINYRBAFYIBOY-CQSZACIVSA-N
MW264.42 g/mol
LogP2.09
Rot. Bonds6

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (PubChem CID 95319664) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
PubChem CID95319664
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4/c1-5-18-9-7-8-14(18)10-16-11-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyIQINYRBAFYIBOY-CQSZACIVSA-N
XLogP2.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine with MolForge

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Related Compounds

[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 19623284
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929168
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
CID 95352400
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-(1-ethylpyrrolidin-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114554795
1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077080
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (CID 95319664) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is CCN1CCC[C@@H]1CNCc1c(C)nn(CC)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The InChIKey is IQINYRBAFYIBOY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-18-9-7-8-14(18)10-16-11-15-12(3)17-19(6-2)13(15)4/h14,16H,5-11H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95319664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).