N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline

C19H21N5 — CID 21222868

IUPACN,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline
SMILES[H]/N=C1C(=N\c2ccc(N(CC)CC)cc2)\C=NN\1c1ccccc1
InChIInChI=1S/C19H21N5/c1-3-23(4-2)16-12-10-15(11-13-16)22-18-14-21-24(19(18)20)17-8-6-5-7-9-17/h5-14,20H,3-4H2,1-2H3/b20-19+,22-18+
InChIKeyJCHLRHKKJUOYFA-LWEJJHOBSA-N
MW319.41 g/mol
LogP4.09
Rot. Bonds5

About N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline

N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline (PubChem CID 21222868) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline
PubChem CID21222868
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline
SMILES[H]/N=C1C(=N\c2ccc(N(CC)CC)cc2)\C=NN\1c1ccccc1
InChIInChI=1S/C19H21N5/c1-3-23(4-2)16-12-10-15(11-13-16)22-18-14-21-24(19(18)20)17-8-6-5-7-9-17/h5-14,20H,3-4H2,1-2H3/b20-19+,22-18+
InChIKeyJCHLRHKKJUOYFA-LWEJJHOBSA-N
XLogP4.09
TPSA55.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol
CID 21222910
4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine
CID 21222826
4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one
CID 14549854
N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline
CID 67576855
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
CID 139637944
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
N,N-diethylaniline;hydrazine
CID 161037544
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 16633155
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline?
The IUPAC name of N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline (CID 21222868) is N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline.
What is the SMILES notation for N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline?
The canonical SMILES for N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline is [H]/N=C1C(=N\c2ccc(N(CC)CC)cc2)\C=NN\1c1ccccc1.
What is the InChIKey of N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline?
The InChIKey is JCHLRHKKJUOYFA-LWEJJHOBSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-23(4-2)16-12-10-15(11-13-16)22-18-14-21-24(19(18)20)17-8-6-5-7-9-17/h5-14,20H,3-4H2,1-2H3/b20-19+,22-18+.
What are the key properties of N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline?
N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline has a molecular weight of 319.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline is sourced from PubChem (CID 21222868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).