N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline

C20H22N4 — CID 126002081

IUPACN-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C20H22N4/c1-14-5-9-18(10-6-14)22-21-13-20-16(3)23-24(17(20)4)19-11-7-15(2)8-12-19/h5-13,22H,1-4H3/b21-13+
InChIKeyAFXGNYYKKLTYBI-FYJGNVAPSA-N
MW318.42 g/mol
LogP4.55
Rot. Bonds4

About N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline

N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline (PubChem CID 126002081) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
PubChem CID126002081
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C20H22N4/c1-14-5-9-18(10-6-14)22-21-13-20-16(3)23-24(17(20)4)19-11-7-15(2)8-12-19/h5-13,22H,1-4H3/b21-13+
InChIKeyAFXGNYYKKLTYBI-FYJGNVAPSA-N
XLogP4.55
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
N-[(E)-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2,4-dimethylaniline
CID 126001450
4-bromo-N-[(E)-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylideneamino]aniline
CID 126001852
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
N-[(Z)-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylaniline
CID 9059269
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 146025539
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4674116
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-methylaniline
CID 9059416
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine
CID 6208460
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-prop-2-enylthiourea
CID 3660487
(NE)-N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 25220563
N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 57368886

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline (CID 126002081) is N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline is Cc1ccc(N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline?
The InChIKey is AFXGNYYKKLTYBI-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-5-9-18(10-6-14)22-21-13-20-16(3)23-24(17(20)4)19-11-7-15(2)8-12-19/h5-13,22H,1-4H3/b21-13+.
What are the key properties of N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline?
N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline has a molecular weight of 318.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 126002081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).