N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline

C14H19N5 — CID 67576855

IUPACN,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline
SMILES[H]/N=C1\N=NC(C)\C1=N\c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H19N5/c1-4-19(5-2)12-8-6-11(7-9-12)16-13-10(3)17-18-14(13)15/h6-10,15H,4-5H2,1-3H3/b15-14-,16-13-
InChIKeyKRLLOTIJRXDKGR-KRXJCDBSSA-N
MW257.34 g/mol
LogP3.44
Rot. Bonds4

About N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline

N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline (PubChem CID 67576855) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline
PubChem CID67576855
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline
SMILES[H]/N=C1\N=NC(C)\C1=N\c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H19N5/c1-4-19(5-2)12-8-6-11(7-9-12)16-13-10(3)17-18-14(13)15/h6-10,15H,4-5H2,1-3H3/b15-14-,16-13-
InChIKeyKRLLOTIJRXDKGR-KRXJCDBSSA-N
XLogP3.44
TPSA64.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline?
The IUPAC name of N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline (CID 67576855) is N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline.
What is the SMILES notation for N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline?
The canonical SMILES for N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline is [H]/N=C1\N=NC(C)\C1=N\c1ccc(N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline?
The InChIKey is KRLLOTIJRXDKGR-KRXJCDBSSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-19(5-2)12-8-6-11(7-9-12)16-13-10(3)17-18-14(13)15/h6-10,15H,4-5H2,1-3H3/b15-14-,16-13-.
What are the key properties of N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline?
N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline has a molecular weight of 257.34 g/mol, XLogP of 3.44, 4 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-3-methyl-3H-pyrazol-4-ylidene)amino]aniline is sourced from PubChem (CID 67576855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).