N-(4-chloro-1H-pyrazol-5-yl)methanimine

C4H4ClN3 — CID 166893852

IUPACN-(4-chloro-1H-pyrazol-5-yl)methanimine
SMILESC=Nc1[nH]ncc1Cl
InChIInChI=1S/C4H4ClN3/c1-6-4-3(5)2-7-8-4/h2H,1H2,(H,7,8)
InChIKeySEEZTBWFCVIPBP-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.40
Rot. Bonds1

About N-(4-chloro-1H-pyrazol-5-yl)methanimine

N-(4-chloro-1H-pyrazol-5-yl)methanimine (PubChem CID 166893852) has the molecular formula C4H4ClN3 and a molecular weight of 129.55 g/mol. Its IUPAC name is N-(4-chloro-1H-pyrazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-1H-pyrazol-5-yl)methanimine
PubChem CID166893852
Molecular FormulaC4H4ClN3
Molecular Weight129.55 g/mol
Exact Mass129.01
IUPAC NameN-(4-chloro-1H-pyrazol-5-yl)methanimine
SMILESC=Nc1[nH]ncc1Cl
InChIInChI=1S/C4H4ClN3/c1-6-4-3(5)2-7-8-4/h2H,1H2,(H,7,8)
InChIKeySEEZTBWFCVIPBP-UHFFFAOYSA-N
XLogP1.40
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-pyrazol-5-yl)methanimine?
The IUPAC name of N-(4-chloro-1H-pyrazol-5-yl)methanimine (CID 166893852) is N-(4-chloro-1H-pyrazol-5-yl)methanimine.
What is the SMILES notation for N-(4-chloro-1H-pyrazol-5-yl)methanimine?
The canonical SMILES for N-(4-chloro-1H-pyrazol-5-yl)methanimine is C=Nc1[nH]ncc1Cl.
What is the InChIKey of N-(4-chloro-1H-pyrazol-5-yl)methanimine?
The InChIKey is SEEZTBWFCVIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3/c1-6-4-3(5)2-7-8-4/h2H,1H2,(H,7,8).
What are the key properties of N-(4-chloro-1H-pyrazol-5-yl)methanimine?
N-(4-chloro-1H-pyrazol-5-yl)methanimine has a molecular weight of 129.55 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-pyrazol-5-yl)methanimine is sourced from PubChem (CID 166893852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).