N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

C13H23N3 — CID 114536339

IUPACN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNCC2CCC2)n1
InChIInChI=1S/C13H23N3/c1-11-9-12(2)16(15-11)8-4-7-14-10-13-5-3-6-13/h9,13-14H,3-8,10H2,1-2H3
InChIKeyVXEVBNGRRSRXMV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.28
Rot. Bonds6

About N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 114536339) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID114536339
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNCC2CCC2)n1
InChIInChI=1S/C13H23N3/c1-11-9-12(2)16(15-11)8-4-7-14-10-13-5-3-6-13/h9,13-14H,3-8,10H2,1-2H3
InChIKeyVXEVBNGRRSRXMV-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-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

Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
CID 103158404
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
CID 115651483
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 114537124
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536426
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536435
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111783809
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 114536339) is N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(CCCNCC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is VXEVBNGRRSRXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-9-12(2)16(15-11)8-4-7-14-10-13-5-3-6-13/h9,13-14H,3-8,10H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 114536339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).