N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine

C11H21N3 — CID 75356254

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnn(C)c1C
InChIInChI=1S/C11H21N3/c1-4-5-6-7-12-8-11-9-13-14(3)10(11)2/h9,12H,4-8H2,1-3H3
InChIKeyQVFGAEPZFYKMEK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.01
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine (PubChem CID 75356254) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine
PubChem CID75356254
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnn(C)c1C
InChIInChI=1S/C11H21N3/c1-4-5-6-7-12-8-11-9-13-14(3)10(11)2/h9,12H,4-8H2,1-3H3
InChIKeyQVFGAEPZFYKMEK-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine (CID 75356254) is N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine is CCCCCNCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine?
The InChIKey is QVFGAEPZFYKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-7-12-8-11-9-13-14(3)10(11)2/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 75356254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).