N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride

C10H20ClN3 — CID 122240417

IUPACN-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
SMILESCNCCCc1cnn(C(C)C)c1.Cl
InChIInChI=1S/C10H19N3.ClH/c1-9(2)13-8-10(7-12-13)5-4-6-11-3;/h7-9,11H,4-6H2,1-3H3;1H
InChIKeyNULJHYHCGBZBQF-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride

N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride (PubChem CID 122240417) has the molecular formula C10H20ClN3 and a molecular weight of 217.74 g/mol. Its IUPAC name is N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
PubChem CID122240417
Molecular FormulaC10H20ClN3
Molecular Weight217.74 g/mol
Exact Mass217.13
IUPAC NameN-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
SMILESCNCCCc1cnn(C(C)C)c1.Cl
InChIInChI=1S/C10H19N3.ClH/c1-9(2)13-8-10(7-12-13)5-4-6-11-3;/h7-9,11H,4-6H2,1-3H3;1H
InChIKeyNULJHYHCGBZBQF-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.04
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

4-(3-chloropropyl)-1-propan-2-ylpyrazole
CID 62719458
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 159150030
3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 55111544
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
CID 62719497

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride (CID 122240417) is N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride is CNCCCc1cnn(C(C)C)c1.Cl.
What is the InChIKey of N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride?
The InChIKey is NULJHYHCGBZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.ClH/c1-9(2)13-8-10(7-12-13)5-4-6-11-3;/h7-9,11H,4-6H2,1-3H3;1H.
What are the key properties of N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride?
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 122240417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).