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

C13H25N3 — CID 115896746

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cnn(C)c1C
InChIInChI=1S/C13H25N3/c1-5-7-13(8-6-2)14-9-12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3
InChIKeyZLJOETPDBPVYRI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.79
Rot. Bonds7

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine (PubChem CID 115896746) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
PubChem CID115896746
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cnn(C)c1C
InChIInChI=1S/C13H25N3/c1-5-7-13(8-6-2)14-9-12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3
InChIKeyZLJOETPDBPVYRI-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 79578579
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115896751
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613087

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine (CID 115896746) is N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine is CCCC(CCC)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine?
The InChIKey is ZLJOETPDBPVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-13(8-6-2)14-9-12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 2.79, 7 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]heptan-4-amine is sourced from PubChem (CID 115896746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).