N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine

C14H25N3O — CID 114667118

IUPACN-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1c(OC)cnn1C
InChIInChI=1S/C14H25N3O/c1-4-8-15-9-11-6-5-7-12(11)14-13(18-3)10-16-17(14)2/h10-12,15H,4-9H2,1-3H3
InChIKeyPFRWVDKOQJJAGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.31
Rot. Bonds6

About N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine

N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine (PubChem CID 114667118) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
PubChem CID114667118
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1c(OC)cnn1C
InChIInChI=1S/C14H25N3O/c1-4-8-15-9-11-6-5-7-12(11)14-13(18-3)10-16-17(14)2/h10-12,15H,4-9H2,1-3H3
InChIKeyPFRWVDKOQJJAGQ-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine (CID 114667118) is N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1c(OC)cnn1C.
What is the InChIKey of N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is PFRWVDKOQJJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-8-15-9-11-6-5-7-12(11)14-13(18-3)10-16-17(14)2/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 114667118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).