1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine

C12H22N4 — CID 102805781

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cn(C)nc2C)C1
InChIInChI=1S/C12H22N4/c1-4-6-13-11-5-7-16(8-11)12-9-15(3)14-10(12)2/h9,11,13H,4-8H2,1-3H3
InChIKeyOEZAFCMCQBDOOX-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.31
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine

1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine (PubChem CID 102805781) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine
PubChem CID102805781
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cn(C)nc2C)C1
InChIInChI=1S/C12H22N4/c1-4-6-13-11-5-7-16(8-11)12-9-15(3)14-10(12)2/h9,11,13H,4-8H2,1-3H3
InChIKeyOEZAFCMCQBDOOX-UHFFFAOYSA-N
XLogP1.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine (CID 102805781) is 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2cn(C)nc2C)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine?
The InChIKey is OEZAFCMCQBDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-13-11-5-7-16(8-11)12-9-15(3)14-10(12)2/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine?
1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 102805781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).