3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine

C11H19N3 — CID 112712761

IUPAC3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine
SMILESCCn1cc(CCCN)c(C2CC2)n1
InChIInChI=1S/C11H19N3/c1-2-14-8-10(4-3-7-12)11(13-14)9-5-6-9/h8-9H,2-7,12H2,1H3
InChIKeyHJJLMOBBRXMRFE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.67
Rot. Bonds5

About 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine

3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine (PubChem CID 112712761) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine
PubChem CID112712761
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine
SMILESCCn1cc(CCCN)c(C2CC2)n1
InChIInChI=1S/C11H19N3/c1-2-14-8-10(4-3-7-12)11(13-14)9-5-6-9/h8-9H,2-7,12H2,1H3
InChIKeyHJJLMOBBRXMRFE-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine (CID 112712761) is 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine is CCn1cc(CCCN)c(C2CC2)n1.
What is the InChIKey of 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine?
The InChIKey is HJJLMOBBRXMRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-14-8-10(4-3-7-12)11(13-14)9-5-6-9/h8-9H,2-7,12H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine?
3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 112712761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).