(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine

C6H11N3 — CID 134559797

IUPAC(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine
SMILESCC/C=N\N1CCC=N1
InChIInChI=1S/C6H11N3/c1-2-4-7-9-6-3-5-8-9/h4-5H,2-3,6H2,1H3/b7-4-
InChIKeyPZHIGXBBFBSBDB-DAXSKMNVSA-N
MW125.17 g/mol
LogP1.07
Rot. Bonds2

About (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine

(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine (PubChem CID 134559797) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine
PubChem CID134559797
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine
SMILESCC/C=N\N1CCC=N1
InChIInChI=1S/C6H11N3/c1-2-4-7-9-6-3-5-8-9/h4-5H,2-3,6H2,1H3/b7-4-
InChIKeyPZHIGXBBFBSBDB-DAXSKMNVSA-N
XLogP1.07
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine 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

Propanal, dimethylhydrazone
CID 5962214
Propanal dimethylhydrazone
CID 343142
Butanal dimethylhydrazone
CID 517836
Butanal, dimethylhydrazone
CID 9601578
1-Methyl-4,5-dihydro-1H-pyrazole
CID 13330488
2-Ethyl-3,4-dihydropyrazole
CID 19604021
N-[(Z)-butylideneamino]-N-methylmethanamine
CID 5364153
N-methyl-N-[(Z)-propylideneamino]methanamine
CID 5364164
2-Propyl-3,4-dihydropyrazole
CID 19604028
2-(3,4-Dihydropyrazol-2-yl)-3,4-dihydropyrazole
CID 20531290
2,3-dimethyl-4H-triazole
CID 21043315
1,2-Dimethyl-3,4-dihydropyrazol-1-ium
CID 23279195

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine?
The IUPAC name of (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine (CID 134559797) is (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine.
What is the SMILES notation for (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine?
The canonical SMILES for (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine is CC/C=N\N1CCC=N1.
What is the InChIKey of (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine?
The InChIKey is PZHIGXBBFBSBDB-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-4-7-9-6-3-5-8-9/h4-5H,2-3,6H2,1H3/b7-4-.
What are the key properties of (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine?
(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine has a molecular weight of 125.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine is sourced from PubChem (CID 134559797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).