N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine

C13H23N3 — CID 81033039

IUPACN-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccnn1C
InChIInChI=1S/C13H23N3/c1-3-8-14-10-11-5-4-6-12(11)13-7-9-15-16(13)2/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyLYWRXXYCIFKNBG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.30
Rot. Bonds5

About N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine

N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81033039) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
PubChem CID81033039
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccnn1C
InChIInChI=1S/C13H23N3/c1-3-8-14-10-11-5-4-6-12(11)13-7-9-15-16(13)2/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyLYWRXXYCIFKNBG-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.30
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-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667118
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
2-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 63961612
N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine
CID 114691486
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 113447373
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine (CID 81033039) is N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1ccnn1C.
What is the InChIKey of N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is LYWRXXYCIFKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-8-14-10-11-5-4-6-12(11)13-7-9-15-16(13)2/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81033039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).