[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine

C14H17N3 — CID 141059109

IUPAC[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine
SMILESNCc1cccc(C2CC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C14H17N3/c15-9-10-2-1-3-11(6-10)12-7-13(8-12)14-4-5-16-17-14/h1-6,12-13H,7-9,15H2,(H,16,17)
InChIKeyURFLTUSCILAZCX-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.53
Rot. Bonds3

About [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine

[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine (PubChem CID 141059109) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine
PubChem CID141059109
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine
SMILESNCc1cccc(C2CC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C14H17N3/c15-9-10-2-1-3-11(6-10)12-7-13(8-12)14-4-5-16-17-14/h1-6,12-13H,7-9,15H2,(H,16,17)
InChIKeyURFLTUSCILAZCX-UHFFFAOYSA-N
XLogP2.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine?
The IUPAC name of [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine (CID 141059109) is [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine?
The canonical SMILES for [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine is NCc1cccc(C2CC(c3ccn[nH]3)C2)c1.
What is the InChIKey of [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine?
The InChIKey is URFLTUSCILAZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-10-2-1-3-11(6-10)12-7-13(8-12)14-4-5-16-17-14/h1-6,12-13H,7-9,15H2,(H,16,17).
What are the key properties of [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine?
[3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1H-pyrazol-5-yl)cyclobutyl]phenyl]methanamine is sourced from PubChem (CID 141059109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).