1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

C14H24N4 — CID 79584422

IUPAC1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CC2)C1c1cnn(C)c1C
InChIInChI=1S/C14H24N4/c1-10-13(9-16-17(10)3)14-11(8-15-2)6-7-18(14)12-4-5-12/h9,11-12,14-15H,4-8H2,1-3H3
InChIKeyNVTSDUWHBVXTJF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.47
Rot. Bonds4

About 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 79584422) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID79584422
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CC2)C1c1cnn(C)c1C
InChIInChI=1S/C14H24N4/c1-10-13(9-16-17(10)3)14-11(8-15-2)6-7-18(14)12-4-5-12/h9,11-12,14-15H,4-8H2,1-3H3
InChIKeyNVTSDUWHBVXTJF-UHFFFAOYSA-N
XLogP1.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 79584422) is 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C2CC2)C1c1cnn(C)c1C.
What is the InChIKey of 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NVTSDUWHBVXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-13(9-16-17(10)3)14-11(8-15-2)6-7-18(14)12-4-5-12/h9,11-12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79584422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).