N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine

C14H17N3 — CID 123549247

IUPACN-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine
SMILESCCC/C(=N\C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H17N3/c1-3-6-14(15-2)12-7-4-8-13(11-12)17-10-5-9-16-17/h4-5,7-11H,3,6H2,1-2H3/b15-14+
InChIKeyFHVIENJUXVSZBL-CCEZHUSRSA-N
MW227.31 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine

N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine (PubChem CID 123549247) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine.

Molecular Properties

Compound NameN-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine
PubChem CID123549247
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine
SMILESCCC/C(=N\C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H17N3/c1-3-6-14(15-2)12-7-4-8-13(11-12)17-10-5-9-16-17/h4-5,7-11H,3,6H2,1-2H3/b15-14+
InChIKeyFHVIENJUXVSZBL-CCEZHUSRSA-N
XLogP3.09
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.09
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

ethyl 3-pyrazol-1-ylbenzenecarboximidate
CID 175336696
N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
CID 18945125
2-methyl-1-pentyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792083
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
N-ethyl-N-(3-ethynylphenyl)-3-pyrazol-1-ylbenzamide
CID 99397193

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine?
The IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine (CID 123549247) is N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine.
What is the SMILES notation for N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine?
The canonical SMILES for N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine is CCC/C(=N\C)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine?
The InChIKey is FHVIENJUXVSZBL-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-6-14(15-2)12-7-4-8-13(11-12)17-10-5-9-16-17/h4-5,7-11H,3,6H2,1-2H3/b15-14+.
What are the key properties of N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine?
N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine has a molecular weight of 227.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine is sourced from PubChem (CID 123549247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).