N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline

C14H19N3 — CID 65191898

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-10-5-7-13(8-6-10)15-11(2)14-9-17(4)16-12(14)3/h5-9,11,15H,1-4H3
InChIKeyYKASEKBXTDPKSD-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.21
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline (PubChem CID 65191898) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
PubChem CID65191898
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-10-5-7-13(8-6-10)15-11(2)14-9-17(4)16-12(14)3/h5-9,11,15H,1-4H3
InChIKeyYKASEKBXTDPKSD-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline (CID 65191898) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline?
The InChIKey is YKASEKBXTDPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-7-13(8-6-10)15-11(2)14-9-17(4)16-12(14)3/h5-9,11,15H,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 65191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).