N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

C13H24N4 — CID 113225951

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCc1n[nH]c(C)c1CNCC(C)N1CCCC1
InChIInChI=1S/C13H24N4/c1-10(17-6-4-5-7-17)8-14-9-13-11(2)15-16-12(13)3/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyRGFUBCWBYFPAHM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.60
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 113225951) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID113225951
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCc1n[nH]c(C)c1CNCC(C)N1CCCC1
InChIInChI=1S/C13H24N4/c1-10(17-6-4-5-7-17)8-14-9-13-11(2)15-16-12(13)3/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyRGFUBCWBYFPAHM-UHFFFAOYSA-N
XLogP1.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-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-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 113225951) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is Cc1n[nH]c(C)c1CNCC(C)N1CCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RGFUBCWBYFPAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(17-6-4-5-7-17)8-14-9-13-11(2)15-16-12(13)3/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 113225951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).