1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one

C14H24N2O — CID 103024291

IUPAC1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCc1ccnn1C
InChIInChI=1S/C14H24N2O/c1-4-6-12(7-5-2)14(17)9-8-13-10-11-15-16(13)3/h10-12H,4-9H2,1-3H3
InChIKeyUBYPYQAESZKXGC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds8

About 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one

1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one (PubChem CID 103024291) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one
PubChem CID103024291
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCc1ccnn1C
InChIInChI=1S/C14H24N2O/c1-4-6-12(7-5-2)14(17)9-8-13-10-11-15-16(13)3/h10-12H,4-9H2,1-3H3
InChIKeyUBYPYQAESZKXGC-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one (CID 103024291) is 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one is CCCC(CCC)C(=O)CCc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one?
The InChIKey is UBYPYQAESZKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-12(7-5-2)14(17)9-8-13-10-11-15-16(13)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one?
1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-4-propylheptan-3-one is sourced from PubChem (CID 103024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).