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

C10H19N3 — CID 105439686

IUPACN-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNCCCc1ccnn1C(C)C
InChIInChI=1S/C10H19N3/c1-9(2)13-10(6-8-12-13)5-4-7-11-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyOVAUDPXESSNRAH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.62
Rot. Bonds5

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

N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 105439686) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID105439686
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNCCCc1ccnn1C(C)C
InChIInChI=1S/C10H19N3/c1-9(2)13-10(6-8-12-13)5-4-7-11-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyOVAUDPXESSNRAH-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.62
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-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 105439686) is N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is CNCCCc1ccnn1C(C)C.
What is the InChIKey of N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is OVAUDPXESSNRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)13-10(6-8-12-13)5-4-7-11-3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105439686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).