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

C13H24N4 — CID 19623284

IUPAC[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCCn1nc(C)c(CN2CCCC2CN)c1C
InChIInChI=1S/C13H24N4/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(16)8-14/h12H,4-9,14H2,1-3H3
InChIKeyRWKKDVHVKCBKDF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.44
Rot. Bonds4

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

[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 19623284) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID19623284
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCCn1nc(C)c(CN2CCCC2CN)c1C
InChIInChI=1S/C13H24N4/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(16)8-14/h12H,4-9,14H2,1-3H3
InChIKeyRWKKDVHVKCBKDF-UHFFFAOYSA-N
XLogP1.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 95319664
6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 124989910
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (CID 19623284) is [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is CCn1nc(C)c(CN2CCCC2CN)c1C.
What is the InChIKey of [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is RWKKDVHVKCBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(16)8-14/h12H,4-9,14H2,1-3H3.
What are the key properties of [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 19623284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).