N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine

C14H23N5 — CID 131935574

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc(C)n(CCCNC(C)Cn2cccn2)n1
InChIInChI=1S/C14H23N5/c1-12-10-14(3)19(17-12)9-4-6-15-13(2)11-18-8-5-7-16-18/h5,7-8,10,13,15H,4,6,9,11H2,1-3H3
InChIKeyAFEFZDDVOMLLOI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.76
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 131935574) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID131935574
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc(C)n(CCCNC(C)Cn2cccn2)n1
InChIInChI=1S/C14H23N5/c1-12-10-14(3)19(17-12)9-4-6-15-13(2)11-18-8-5-7-16-18/h5,7-8,10,13,15H,4,6,9,11H2,1-3H3
InChIKeyAFEFZDDVOMLLOI-UHFFFAOYSA-N
XLogP1.76
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-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

Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 125445317
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95221915
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine (CID 131935574) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine is Cc1cc(C)n(CCCNC(C)Cn2cccn2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is AFEFZDDVOMLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-12-10-14(3)19(17-12)9-4-6-15-13(2)11-18-8-5-7-16-18/h5,7-8,10,13,15H,4,6,9,11H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 131935574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).