N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine

C11H19N3 — CID 165477999

IUPACN-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCCNCCn1ccc(C2CC2)n1
InChIInChI=1S/C11H19N3/c1-2-6-12-7-9-14-8-5-11(13-14)10-3-4-10/h5,8,10,12H,2-4,6-7,9H2,1H3
InChIKeyORFAFMGYDMPSHW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine

N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine (PubChem CID 165477999) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine
PubChem CID165477999
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCCNCCn1ccc(C2CC2)n1
InChIInChI=1S/C11H19N3/c1-2-6-12-7-9-14-8-5-11(13-14)10-3-4-10/h5,8,10,12H,2-4,6-7,9H2,1H3
InChIKeyORFAFMGYDMPSHW-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
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-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine (CID 165477999) is N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine is CCCNCCn1ccc(C2CC2)n1.
What is the InChIKey of N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is ORFAFMGYDMPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-6-12-7-9-14-8-5-11(13-14)10-3-4-10/h5,8,10,12H,2-4,6-7,9H2,1H3.
What are the key properties of N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine?
N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropylpyrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 165477999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).