N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine

C15H27N3 — CID 64777700

IUPACN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-15(2,3)16-11-6-7-13-10-12-18(17-13)14-8-4-5-9-14/h10,12,14,16H,4-9,11H2,1-3H3
InChIKeyADSBLTSDZOCHJB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine

N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine (PubChem CID 64777700) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
PubChem CID64777700
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-15(2,3)16-11-6-7-13-10-12-18(17-13)14-8-4-5-9-14/h10,12,14,16H,4-9,11H2,1-3H3
InChIKeyADSBLTSDZOCHJB-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777209
N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777399
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64777282
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine (CID 64777700) is N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is ADSBLTSDZOCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)16-11-6-7-13-10-12-18(17-13)14-8-4-5-9-14/h10,12,14,16H,4-9,11H2,1-3H3.
What are the key properties of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64777700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).