N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide

C14H20N4 — CID 2850069

IUPACN,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide
SMILESCCN(/C=N/C1=NN(c2ccccc2)CC1)CC
InChIInChI=1S/C14H20N4/c1-3-17(4-2)12-15-14-10-11-18(16-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b15-12+
InChIKeyBCRYVRHMKDWFCA-NTCAYCPXSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds4

About N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide

N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide (PubChem CID 2850069) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide
PubChem CID2850069
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide
SMILESCCN(/C=N/C1=NN(c2ccccc2)CC1)CC
InChIInChI=1S/C14H20N4/c1-3-17(4-2)12-15-14-10-11-18(16-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b15-12+
InChIKeyBCRYVRHMKDWFCA-NTCAYCPXSA-N
XLogP2.58
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide?
The IUPAC name of N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide (CID 2850069) is N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide.
What is the SMILES notation for N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide?
The canonical SMILES for N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide is CCN(/C=N/C1=NN(c2ccccc2)CC1)CC.
What is the InChIKey of N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide?
The InChIKey is BCRYVRHMKDWFCA-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-17(4-2)12-15-14-10-11-18(16-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b15-12+.
What are the key properties of N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide?
N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide has a molecular weight of 244.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide is sourced from PubChem (CID 2850069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).