N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine

C14H25N3 — CID 55088429

IUPACN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
SMILESCc1nn(CCCNC2CCCC2)c(C)c1C
InChIInChI=1S/C14H25N3/c1-11-12(2)16-17(13(11)3)10-6-9-15-14-7-4-5-8-14/h14-15H,4-10H2,1-3H3
InChIKeyCUGLFFRUTZMVLA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.73
Rot. Bonds5

About N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine

N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine (PubChem CID 55088429) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
PubChem CID55088429
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
SMILESCc1nn(CCCNC2CCCC2)c(C)c1C
InChIInChI=1S/C14H25N3/c1-11-12(2)16-17(13(11)3)10-6-9-15-14-7-4-5-8-14/h14-15H,4-10H2,1-3H3
InChIKeyCUGLFFRUTZMVLA-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.73
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

N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
CID 62565084
N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441748
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
CID 62130109
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
1-cyclopentyl-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 113448415
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951
N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133123132
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
CID 62924077

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine (CID 55088429) is N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine is Cc1nn(CCCNC2CCCC2)c(C)c1C.
What is the InChIKey of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine?
The InChIKey is CUGLFFRUTZMVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-12(2)16-17(13(11)3)10-6-9-15-14-7-4-5-8-14/h14-15H,4-10H2,1-3H3.
What are the key properties of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine?
N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine has a molecular weight of 235.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 55088429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).