N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine

C13H25N3 — CID 62731753

IUPACN-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CC(C)CCC)c1
InChIInChI=1S/C13H25N3/c1-4-6-12(3)10-16-11-13(9-15-16)8-14-7-5-2/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyQXSZBGVAZZETFL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds8

About N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 62731753) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID62731753
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(CC(C)CCC)c1
InChIInChI=1S/C13H25N3/c1-4-6-12(3)10-16-11-13(9-15-16)8-14-7-5-2/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyQXSZBGVAZZETFL-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
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-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
N-[[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 55111012
N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 64567805
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine (CID 62731753) is N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(CC(C)CCC)c1.
What is the InChIKey of N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is QXSZBGVAZZETFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-12(3)10-16-11-13(9-15-16)8-14-7-5-2/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62731753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).