3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

C15H19N3 — CID 115671480

IUPAC3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C15H19N3/c1-11-7-14(8-11)16-9-13-10-17-18-15(13)12-5-3-2-4-6-12/h2-6,10-11,14,16H,7-9H2,1H3,(H,17,18)
InChIKeyXPYNPFREYWAYSA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.96
Rot. Bonds4

About 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 115671480) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID115671480
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C15H19N3/c1-11-7-14(8-11)16-9-13-10-17-18-15(13)12-5-3-2-4-6-12/h2-6,10-11,14,16H,7-9H2,1H3,(H,17,18)
InChIKeyXPYNPFREYWAYSA-UHFFFAOYSA-N
XLogP2.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (CID 115671480) is 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is CC1CC(NCc2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is XPYNPFREYWAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-14(8-11)16-9-13-10-17-18-15(13)12-5-3-2-4-6-12/h2-6,10-11,14,16H,7-9H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115671480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).