N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine

C13H21N3 — CID 79590870

IUPACN-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine
SMILESCCn1cc(CC=CCCNC2CC2)cn1
InChIInChI=1S/C13H21N3/c1-2-16-11-12(10-15-16)6-4-3-5-9-14-13-7-8-13/h3-4,10-11,13-14H,2,5-9H2,1H3
InChIKeyPAPAGGFBYDOAFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.14
Rot. Bonds7

About N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine

N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine (PubChem CID 79590870) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine
PubChem CID79590870
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine
SMILESCCn1cc(CC=CCCNC2CC2)cn1
InChIInChI=1S/C13H21N3/c1-2-16-11-12(10-15-16)6-4-3-5-9-14-13-7-8-13/h3-4,10-11,13-14H,2,5-9H2,1H3
InChIKeyPAPAGGFBYDOAFX-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032362
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
CID 79590615
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[(E)-4-(4-chloro-1-ethylpyrazol-5-yl)but-3-enyl]cyclopropanamine
CID 114666244
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
1,4-diethylpyrazole;ethane
CID 143641951
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine (CID 79590870) is N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine is CCn1cc(CC=CCCNC2CC2)cn1.
What is the InChIKey of N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is PAPAGGFBYDOAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16-11-12(10-15-16)6-4-3-5-9-14-13-7-8-13/h3-4,10-11,13-14H,2,5-9H2,1H3.
What are the key properties of N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine?
N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79590870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).