4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C12H22N4 — CID 103575106

IUPAC4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3
InChIKeyARLCNKLEZLEILW-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.82
Rot. Bonds2

About 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 103575106) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID103575106
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3
InChIKeyARLCNKLEZLEILW-UHFFFAOYSA-N
XLogP0.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 103575106) is 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is Cc1nn(C)c(C)c1CN1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ARLCNKLEZLEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3.
What are the key properties of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).