3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine

C14H25N3 — CID 114136949

IUPAC3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCCC2CCCC2)n(C)n1
InChIInChI=1S/C14H25N3/c1-12-10-14(17(2)16-12)11-15-9-5-8-13-6-3-4-7-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyMKSXRCBCJQZHGY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds6

About 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 114136949) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID114136949
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCCC2CCCC2)n(C)n1
InChIInChI=1S/C14H25N3/c1-12-10-14(17(2)16-12)11-15-9-5-8-13-6-3-4-7-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyMKSXRCBCJQZHGY-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
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-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
CID 106008076
3-cyclopentyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 106010455
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81040640
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106010533
[1-(4-butylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315698
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine (CID 114136949) is 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine is Cc1cc(CNCCCC2CCCC2)n(C)n1.
What is the InChIKey of 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is MKSXRCBCJQZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-10-14(17(2)16-12)11-15-9-5-8-13-6-3-4-7-13/h10,13,15H,3-9,11H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114136949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).