1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine

C16H26N4O — CID 175943887

IUPAC1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine
SMILESNCC1CC(n2cc(NC3CCOCC3)c(C3CC3)n2)C1
InChIInChI=1S/C16H26N4O/c17-9-11-7-14(8-11)20-10-15(16(19-20)12-1-2-12)18-13-3-5-21-6-4-13/h10-14,18H,1-9,17H2
InChIKeyLFKROGHLUYUFIZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds5

About 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine

1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine (PubChem CID 175943887) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine
PubChem CID175943887
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine
SMILESNCC1CC(n2cc(NC3CCOCC3)c(C3CC3)n2)C1
InChIInChI=1S/C16H26N4O/c17-9-11-7-14(8-11)20-10-15(16(19-20)12-1-2-12)18-13-3-5-21-6-4-13/h10-14,18H,1-9,17H2
InChIKeyLFKROGHLUYUFIZ-UHFFFAOYSA-N
XLogP2.26
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine?
The IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine (CID 175943887) is 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine is NCC1CC(n2cc(NC3CCOCC3)c(C3CC3)n2)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine?
The InChIKey is LFKROGHLUYUFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-9-11-7-14(8-11)20-10-15(16(19-20)12-1-2-12)18-13-3-5-21-6-4-13/h10-14,18H,1-9,17H2.
What are the key properties of 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine?
1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclobutyl]-3-cyclopropyl-N-(oxan-4-yl)pyrazol-4-amine is sourced from PubChem (CID 175943887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).