4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine

C18H28N6 — CID 21222826

IUPAC4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine
SMILES[H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)\C(N(C)C)=NN\1C(C)C
InChIInChI=1S/C18H28N6/c1-7-23(8-2)15-11-9-14(10-12-15)20-16-17(19)24(13(3)4)21-18(16)22(5)6/h9-13,19H,7-8H2,1-6H3/b19-17+,20-16+
InChIKeyLLQFQXYZOYPKEF-BHMQALMUSA-N
MW328.46 g/mol
LogP3.18
Rot. Bonds5

About 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine

4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 21222826) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine
PubChem CID21222826
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine
SMILES[H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)\C(N(C)C)=NN\1C(C)C
InChIInChI=1S/C18H28N6/c1-7-23(8-2)15-11-9-14(10-12-15)20-16-17(19)24(13(3)4)21-18(16)22(5)6/h9-13,19H,7-8H2,1-6H3/b19-17+,20-16+
InChIKeyLLQFQXYZOYPKEF-BHMQALMUSA-N
XLogP3.18
TPSA58.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-diethyl-4-[(5-imino-3-methyl-3H-pyrazol-4-ylidene)amino]aniline
CID 67576855
2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol
CID 21222910
N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline
CID 21222868
3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
CID 134921070
3-[4-(diethylamino)phenyl]imino-2-methyl-5,6-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 58584051
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
(6E)-6-[[4-(diethylamino)phenyl]methylidene]-2-ethylsulfonyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 46252645
2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
CID 46832728
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine (CID 21222826) is 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine is [H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)\C(N(C)C)=NN\1C(C)C.
What is the InChIKey of 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is LLQFQXYZOYPKEF-BHMQALMUSA-N. The full InChI is InChI=1S/C18H28N6/c1-7-23(8-2)15-11-9-14(10-12-15)20-16-17(19)24(13(3)4)21-18(16)22(5)6/h9-13,19H,7-8H2,1-6H3/b19-17+,20-16+.
What are the key properties of 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine?
4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine has a molecular weight of 328.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]imino-5-imino-N,N-dimethyl-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 21222826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).