N-(3,4-dihydropyrazol-2-yl)methanimine

C4H7N3 — CID 173116801

IUPACN-(3,4-dihydropyrazol-2-yl)methanimine
SMILESC=NN1CCC=N1
InChIInChI=1S/C4H7N3/c1-5-7-4-2-3-6-7/h3H,1-2,4H2
InChIKeyPBKQZSIHTZTVKQ-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.29
Rot. Bonds1

About N-(3,4-dihydropyrazol-2-yl)methanimine

N-(3,4-dihydropyrazol-2-yl)methanimine (PubChem CID 173116801) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-(3,4-dihydropyrazol-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dihydropyrazol-2-yl)methanimine
PubChem CID173116801
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-(3,4-dihydropyrazol-2-yl)methanimine
SMILESC=NN1CCC=N1
InChIInChI=1S/C4H7N3/c1-5-7-4-2-3-6-7/h3H,1-2,4H2
InChIKeyPBKQZSIHTZTVKQ-UHFFFAOYSA-N
XLogP0.29
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiodiazolen
CID 22165190
2-Fluoro-3,4-dihydropyrazole
CID 153950535
1-Nitroso-4,5-dihydro-1h-pyrazole
CID 129739214
Pyrazoline-phosphine
CID 129859309
3,4-Dihydropyrazol-2-amine
CID 20511326
2-(3,4-Dihydropyrazol-2-yl)-3,4-dihydropyrazole
CID 20531290
CID 53629254
CID 53629254
4-Methyl-3,4-dihydropyrazol-2-ide;yttrium
CID 59915029
1-methyl-4H-pyrazol-1-ium
CID 123720637
2-Iodo-3,4-dihydropyrazole
CID 126732753
2-Iodo-3-methyl-3,4-dihydropyrazole
CID 130322307
(Z)-N-(3,4-dihydropyrazol-2-yl)propan-1-imine
CID 134559797

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyrazol-2-yl)methanimine?
The IUPAC name of N-(3,4-dihydropyrazol-2-yl)methanimine (CID 173116801) is N-(3,4-dihydropyrazol-2-yl)methanimine.
What is the SMILES notation for N-(3,4-dihydropyrazol-2-yl)methanimine?
The canonical SMILES for N-(3,4-dihydropyrazol-2-yl)methanimine is C=NN1CCC=N1.
What is the InChIKey of N-(3,4-dihydropyrazol-2-yl)methanimine?
The InChIKey is PBKQZSIHTZTVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-5-7-4-2-3-6-7/h3H,1-2,4H2.
What are the key properties of N-(3,4-dihydropyrazol-2-yl)methanimine?
N-(3,4-dihydropyrazol-2-yl)methanimine has a molecular weight of 97.12 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyrazol-2-yl)methanimine is sourced from PubChem (CID 173116801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).