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

C15H27N3 — CID 64778088

IUPACN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-13(2)12-16-10-5-6-14-9-11-18(17-14)15-7-3-4-8-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3
InChIKeyJICMQFUBESLYRU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds7

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

N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine (PubChem CID 64778088) 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-1-amine.

Molecular Properties

Compound NameN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
PubChem CID64778088
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-13(2)12-16-10-5-6-14-9-11-18(17-14)15-7-3-4-8-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3
InChIKeyJICMQFUBESLYRU-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
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

4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81026786
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
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-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine (CID 64778088) is N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is JICMQFUBESLYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)12-16-10-5-6-14-9-11-18(17-14)15-7-3-4-8-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3.
What are the key properties of N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.18, 7 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-1-amine is sourced from PubChem (CID 64778088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).