N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline

C14H19N3 — CID 2330529

IUPACN-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1cc(C)[nH]n1
InChIInChI=1S/C14H19N3/c1-10-9-13(17-16-10)14(2,3)11-7-5-6-8-12(11)15-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyFQTAEDLMYDUGAD-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline

N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline (PubChem CID 2330529) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline
PubChem CID2330529
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1cc(C)[nH]n1
InChIInChI=1S/C14H19N3/c1-10-9-13(17-16-10)14(2,3)11-7-5-6-8-12(11)15-4/h5-9,15H,1-4H3,(H,16,17)
InChIKeyFQTAEDLMYDUGAD-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline?
The IUPAC name of N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline (CID 2330529) is N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline?
The canonical SMILES for N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline is CNc1ccccc1C(C)(C)c1cc(C)[nH]n1.
What is the InChIKey of N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline?
The InChIKey is FQTAEDLMYDUGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-9-13(17-16-10)14(2,3)11-7-5-6-8-12(11)15-4/h5-9,15H,1-4H3,(H,16,17).
What are the key properties of N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline?
N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 2330529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).