N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline

C14H17N3 — CID 104860198

IUPACN-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
SMILESCC1CC(Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C14H17N3/c1-11-8-13(9-11)16-12-4-2-5-14(10-12)17-7-3-6-15-17/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyGYWIVHGDCIUJJJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.08
Rot. Bonds3

About N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline

N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline (PubChem CID 104860198) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
PubChem CID104860198
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
SMILESCC1CC(Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C14H17N3/c1-11-8-13(9-11)16-12-4-2-5-14(10-12)17-7-3-6-15-17/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyGYWIVHGDCIUJJJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline (CID 104860198) is N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline is CC1CC(Nc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline?
The InChIKey is GYWIVHGDCIUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-13(9-11)16-12-4-2-5-14(10-12)17-7-3-6-15-17/h2-7,10-11,13,16H,8-9H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline?
N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 104860198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).