N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine

C12H22ClN3 — CID 62128524

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1nn(CCCNC(C)(C)C)c(C)c1Cl
InChIInChI=1S/C12H22ClN3/c1-9-11(13)10(2)16(15-9)8-6-7-14-12(3,4)5/h14H,6-8H2,1-5H3
InChIKeyXGZLYDGQCUNVGF-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.93
Rot. Bonds4

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 62128524) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID62128524
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1nn(CCCNC(C)(C)C)c(C)c1Cl
InChIInChI=1S/C12H22ClN3/c1-9-11(13)10(2)16(15-9)8-6-7-14-12(3,4)5/h14H,6-8H2,1-5H3
InChIKeyXGZLYDGQCUNVGF-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-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-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine (CID 62128524) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine is Cc1nn(CCCNC(C)(C)C)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is XGZLYDGQCUNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-9-11(13)10(2)16(15-9)8-6-7-14-12(3,4)5/h14H,6-8H2,1-5H3.
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 243.78 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62128524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).