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

C13H17N3 — CID 2319772

IUPACN-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-13(2,12-8-9-15-16-12)10-6-4-5-7-11(10)14-3/h4-9,14H,1-3H3,(H,15,16)
InChIKeyGEOFLACOSJKAKR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.78
Rot. Bonds3

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

N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline (PubChem CID 2319772) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline
PubChem CID2319772
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)c1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-13(2,12-8-9-15-16-12)10-6-4-5-7-11(10)14-3/h4-9,14H,1-3H3,(H,15,16)
InChIKeyGEOFLACOSJKAKR-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.78
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-(1H-pyrazol-5-yl)propan-2-yl]aniline?
The IUPAC name of N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline (CID 2319772) is N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline?
The canonical SMILES for N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline is CNc1ccccc1C(C)(C)c1ccn[nH]1.
What is the InChIKey of N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline?
The InChIKey is GEOFLACOSJKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,12-8-9-15-16-12)10-6-4-5-7-11(10)14-3/h4-9,14H,1-3H3,(H,15,16).
What are the key properties of N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline?
N-methyl-2-[2-(1H-pyrazol-5-yl)propan-2-yl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.78, 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-(1H-pyrazol-5-yl)propan-2-yl]aniline is sourced from PubChem (CID 2319772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).