3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline

C12H15N3 — CID 43662346

IUPAC3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(C)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N3/c1-9-5-10(2)7-12(6-9)13-8-11-3-4-14-15-11/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeySUGXGMVAPXRLGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.64
Rot. Bonds3

About 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline

3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 43662346) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID43662346
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(C)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N3/c1-9-5-10(2)7-12(6-9)13-8-11-3-4-14-15-11/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeySUGXGMVAPXRLGC-UHFFFAOYSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline (CID 43662346) is 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline is Cc1cc(C)cc(NCc2ccn[nH]2)c1.
What is the InChIKey of 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is SUGXGMVAPXRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-5-10(2)7-12(6-9)13-8-11-3-4-14-15-11/h3-7,13H,8H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline?
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 43662346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).