N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine

C8H15N3 — CID 16640596

IUPACN-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine
SMILESCCNCCCc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-2-9-5-3-4-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyLMORZJDZURNIOE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.95
Rot. Bonds5

About N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine

N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine (PubChem CID 16640596) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine
PubChem CID16640596
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine
SMILESCCNCCCc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-2-9-5-3-4-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyLMORZJDZURNIOE-UHFFFAOYSA-N
XLogP0.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propyl-1H-pyrazole
CID 12943708
4-Pentyl-1H-pyrazole
CID 23273417
4-Hexyl-1H-pyrazole
CID 44371494
1H-Pyrazole-4-propanamine
CID 152327
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-Ethyl-1H-pyrazole
CID 12933274
3-(1H-pyrazol-4-yl)piperidine
CID 53612880
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
3-(1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 22754933
4-(1H-Pyrazol-4-yl)piperidine
CID 28605195
2-(1H-pyrazol-4-yl)piperidine
CID 54593248
4-(2-methylpropyl)-1H-pyrazole
CID 58592546

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine (CID 16640596) is N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine is CCNCCCc1cn[nH]c1.
What is the InChIKey of N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is LMORZJDZURNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-9-5-3-4-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine?
N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 16640596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).