N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine

C12H23N3 — CID 61004281

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1cn[nH]c1C
InChIInChI=1S/C12H23N3/c1-3-4-5-6-7-8-13-9-12-10-14-15-11(12)2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyJGJSVSPGMYFNQJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.78
Rot. Bonds8

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine (PubChem CID 61004281) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
PubChem CID61004281
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1cn[nH]c1C
InChIInChI=1S/C12H23N3/c1-3-4-5-6-7-8-13-9-12-10-14-15-11(12)2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyJGJSVSPGMYFNQJ-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 61004070
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353437
4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953159
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine (CID 61004281) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine is CCCCCCCNCc1cn[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine?
The InChIKey is JGJSVSPGMYFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-4-5-6-7-8-13-9-12-10-14-15-11(12)2/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine is sourced from PubChem (CID 61004281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).