N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine

C12H22N4 — CID 64772048

IUPACN-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)n1ccc(CN(C)C2CCNC2)n1
InChIInChI=1S/C12H22N4/c1-10(2)16-7-5-11(14-16)9-15(3)12-4-6-13-8-12/h5,7,10,12-13H,4,6,8-9H2,1-3H3
InChIKeyUMGNQFRPTZSTBJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds4

About N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine

N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 64772048) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID64772048
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)n1ccc(CN(C)C2CCNC2)n1
InChIInChI=1S/C12H22N4/c1-10(2)16-7-5-11(14-16)9-15(3)12-4-6-13-8-12/h5,7,10,12-13H,4,6,8-9H2,1-3H3
InChIKeyUMGNQFRPTZSTBJ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine (CID 64772048) is N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine is CC(C)n1ccc(CN(C)C2CCNC2)n1.
What is the InChIKey of N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is UMGNQFRPTZSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-7-5-11(14-16)9-15(3)12-4-6-13-8-12/h5,7,10,12-13H,4,6,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 64772048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).