[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

C13H24N4 — CID 79584237

IUPAC[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCc1c(C2C(CN)CCN2C(C)C)cnn1C
InChIInChI=1S/C13H24N4/c1-9(2)17-6-5-11(7-14)13(17)12-8-15-16(4)10(12)3/h8-9,11,13H,5-7,14H2,1-4H3
InChIKeyPDPJQKMZCNWEAN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds3

About [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (PubChem CID 79584237) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
PubChem CID79584237
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCc1c(C2C(CN)CCN2C(C)C)cnn1C
InChIInChI=1S/C13H24N4/c1-9(2)17-6-5-11(7-14)13(17)12-8-15-16(4)10(12)3/h8-9,11,13H,5-7,14H2,1-4H3
InChIKeyPDPJQKMZCNWEAN-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (CID 79584237) is [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is Cc1c(C2C(CN)CCN2C(C)C)cnn1C.
What is the InChIKey of [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The InChIKey is PDPJQKMZCNWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)17-6-5-11(7-14)13(17)12-8-15-16(4)10(12)3/h8-9,11,13H,5-7,14H2,1-4H3.
What are the key properties of [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79584237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).