3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine

C14H17N3 — CID 117327429

IUPAC3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(C3CCC3)c2)cc1N
InChIInChI=1S/C14H17N3/c1-17-14(15)9-13(16-17)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-10H,2,4-5,15H2,1H3
InChIKeyNNNIHDCMYPUNQM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.94
Rot. Bonds2

About 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine

3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117327429) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
PubChem CID117327429
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(C3CCC3)c2)cc1N
InChIInChI=1S/C14H17N3/c1-17-14(15)9-13(16-17)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-10H,2,4-5,15H2,1H3
InChIKeyNNNIHDCMYPUNQM-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine (CID 117327429) is 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cccc(C3CCC3)c2)cc1N.
What is the InChIKey of 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is NNNIHDCMYPUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-14(15)9-13(16-17)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-10H,2,4-5,15H2,1H3.
What are the key properties of 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine?
3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117327429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).