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

C15H19F3N4 — CID 2843464

IUPACN,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
SMILESCCN(/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1)CC
InChIInChI=1S/C15H19F3N4/c1-3-21(4-2)11-19-14-8-9-22(20-14)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,3-4,8-9H2,1-2H3/b19-11+
InChIKeyQKCONXZIFOPPRF-YBFXNURJSA-N
MW312.34 g/mol
LogP3.60
Rot. Bonds4

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

N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide (PubChem CID 2843464) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
PubChem CID2843464
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC NameN,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
SMILESCCN(/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1)CC
InChIInChI=1S/C15H19F3N4/c1-3-21(4-2)11-19-14-8-9-22(20-14)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,3-4,8-9H2,1-2H3/b19-11+
InChIKeyQKCONXZIFOPPRF-YBFXNURJSA-N
XLogP3.60
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.60
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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Related Compounds

N,N-diethyl-N'-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimidamide
CID 2850069
1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
CID 748143
5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 142916061
N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
CID 70516275
1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
CID 830683
3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586621
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-imine
CID 135986984
N-[2-[3,5-bis(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-N-methylformamide
CID 88724554
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834
5-propyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 14231228
5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 43114660

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide?
The IUPAC name of N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide (CID 2843464) is N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide.
What is the SMILES notation for N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide?
The canonical SMILES for N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide is CCN(/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1)CC.
What is the InChIKey of N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide?
The InChIKey is QKCONXZIFOPPRF-YBFXNURJSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-3-21(4-2)11-19-14-8-9-22(20-14)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11H,3-4,8-9H2,1-2H3/b19-11+.
What are the key properties of N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide?
N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide has a molecular weight of 312.34 g/mol, XLogP of 3.60, 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-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide is sourced from PubChem (CID 2843464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).