(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine

C11H19N3 — CID 115019603

IUPAC(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)c1cc(CN)nn1C1CCC1
InChIInChI=1S/C11H19N3/c1-8(2)11-6-9(7-12)13-14(11)10-4-3-5-10/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyBKUWWQQNUANDQA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds3

About (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine

(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 115019603) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID115019603
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)c1cc(CN)nn1C1CCC1
InChIInChI=1S/C11H19N3/c1-8(2)11-6-9(7-12)13-14(11)10-4-3-5-10/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyBKUWWQQNUANDQA-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine (CID 115019603) is (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine is CC(C)c1cc(CN)nn1C1CCC1.
What is the InChIKey of (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is BKUWWQQNUANDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)11-6-9(7-12)13-14(11)10-4-3-5-10/h6,8,10H,3-5,7,12H2,1-2H3.
What are the key properties of (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine?
(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115019603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).