3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine

C13H24N4 — CID 82876806

IUPAC3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCn1ccc(CC(N)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C13H24N4/c1-13(2,17-7-4-5-8-17)12(14)10-11-6-9-16(3)15-11/h6,9,12H,4-5,7-8,10,14H2,1-3H3
InChIKeySTHVENFKZVEBRV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.16
Rot. Bonds4

About 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine

3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 82876806) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID82876806
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
SMILESCn1ccc(CC(N)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C13H24N4/c1-13(2,17-7-4-5-8-17)12(14)10-11-6-9-16(3)15-11/h6,9,12H,4-5,7-8,10,14H2,1-3H3
InChIKeySTHVENFKZVEBRV-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 82870128
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059051
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056550
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine (CID 82876806) is 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine is Cn1ccc(CC(N)C(C)(C)N2CCCC2)n1.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is STHVENFKZVEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,17-7-4-5-8-17)12(14)10-11-6-9-16(3)15-11/h6,9,12H,4-5,7-8,10,14H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine?
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 82876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).