N-methyl-3-(2-propylpyrazol-3-yl)aniline

C13H17N3 — CID 106505768

IUPACN-methyl-3-(2-propylpyrazol-3-yl)aniline
SMILESCCCn1nccc1-c1cccc(NC)c1
InChIInChI=1S/C13H17N3/c1-3-9-16-13(7-8-15-16)11-5-4-6-12(10-11)14-2/h4-8,10,14H,3,9H2,1-2H3
InChIKeyPGURXIKSFLXVPF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-3-(2-propylpyrazol-3-yl)aniline

N-methyl-3-(2-propylpyrazol-3-yl)aniline (PubChem CID 106505768) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-3-(2-propylpyrazol-3-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(2-propylpyrazol-3-yl)aniline
PubChem CID106505768
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-3-(2-propylpyrazol-3-yl)aniline
SMILESCCCn1nccc1-c1cccc(NC)c1
InChIInChI=1S/C13H17N3/c1-3-9-16-13(7-8-15-16)11-5-4-6-12(10-11)14-2/h4-8,10,14H,3,9H2,1-2H3
InChIKeyPGURXIKSFLXVPF-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propylpyrazol-3-yl)aniline?
The IUPAC name of N-methyl-3-(2-propylpyrazol-3-yl)aniline (CID 106505768) is N-methyl-3-(2-propylpyrazol-3-yl)aniline.
What is the SMILES notation for N-methyl-3-(2-propylpyrazol-3-yl)aniline?
The canonical SMILES for N-methyl-3-(2-propylpyrazol-3-yl)aniline is CCCn1nccc1-c1cccc(NC)c1.
What is the InChIKey of N-methyl-3-(2-propylpyrazol-3-yl)aniline?
The InChIKey is PGURXIKSFLXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-9-16-13(7-8-15-16)11-5-4-6-12(10-11)14-2/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of N-methyl-3-(2-propylpyrazol-3-yl)aniline?
N-methyl-3-(2-propylpyrazol-3-yl)aniline has a molecular weight of 215.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propylpyrazol-3-yl)aniline is sourced from PubChem (CID 106505768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).