3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline

C14H17ClN4 — CID 9069242

IUPAC3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C14H17ClN4/c1-9-5-6-12(7-14(9)15)17-16-8-13-10(2)18-19(4)11(13)3/h5-8,17H,1-4H3/b16-8-
InChIKeyMSJFWWNYDMYMLY-PXNMLYILSA-N
MW276.77 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline

3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline (PubChem CID 9069242) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline
PubChem CID9069242
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C14H17ClN4/c1-9-5-6-12(7-14(9)15)17-16-8-13-10(2)18-19(4)11(13)3/h5-8,17H,1-4H3/b16-8-
InChIKeyMSJFWWNYDMYMLY-PXNMLYILSA-N
XLogP3.44
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline (CID 9069242) is 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline is Cc1ccc(N/N=C\c2c(C)nn(C)c2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline?
The InChIKey is MSJFWWNYDMYMLY-PXNMLYILSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-5-6-12(7-14(9)15)17-16-8-13-10(2)18-19(4)11(13)3/h5-8,17H,1-4H3/b16-8-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline?
3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline has a molecular weight of 276.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline is sourced from PubChem (CID 9069242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).