N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine

C11H19N3 — CID 66440322

IUPACN-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnn(CC)c1C1CC1
InChIInChI=1S/C11H19N3/c1-3-12-7-10-8-13-14(4-2)11(10)9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyDWKGKQZLMUFXJX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds5

About N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 66440322) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID66440322
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnn(CC)c1C1CC1
InChIInChI=1S/C11H19N3/c1-3-12-7-10-8-13-14(4-2)11(10)9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyDWKGKQZLMUFXJX-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine (CID 66440322) is N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine is CCNCc1cnn(CC)c1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is DWKGKQZLMUFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-12-7-10-8-13-14(4-2)11(10)9-5-6-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66440322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).