1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine

C8H14N4 — CID 54594181

IUPAC1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCn1ccc(N2CCC(N)C2)n1
InChIInChI=1S/C8H14N4/c1-11-4-3-8(10-11)12-5-2-7(9)6-12/h3-4,7H,2,5-6,9H2,1H3
InChIKeyHWMQIGXDBKSZNN-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.04
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine

1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 54594181) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine
PubChem CID54594181
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCn1ccc(N2CCC(N)C2)n1
InChIInChI=1S/C8H14N4/c1-11-4-3-8(10-11)12-5-2-7(9)6-12/h3-4,7H,2,5-6,9H2,1H3
InChIKeyHWMQIGXDBKSZNN-UHFFFAOYSA-N
XLogP-0.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine (CID 54594181) is 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine is Cn1ccc(N2CCC(N)C2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is HWMQIGXDBKSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-4-3-8(10-11)12-5-2-7(9)6-12/h3-4,7H,2,5-6,9H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine?
1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 166.23 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 54594181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).