1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one

C19H27N5O — CID 92590669

IUPAC1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2[nH]ncc2-c2ccnc(CCC)n2)CC1
InChIInChI=1S/C19H27N5O/c1-3-5-17-20-10-7-16(22-17)15-13-21-23-19(15)14-8-11-24(12-9-14)18(25)6-4-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyRUWLGMDSYQACDB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.33
Rot. Bonds6

About 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one

1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 92590669) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID92590669
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2[nH]ncc2-c2ccnc(CCC)n2)CC1
InChIInChI=1S/C19H27N5O/c1-3-5-17-20-10-7-16(22-17)15-13-21-23-19(15)14-8-11-24(12-9-14)18(25)6-4-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyRUWLGMDSYQACDB-UHFFFAOYSA-N
XLogP3.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one (CID 92590669) is 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2[nH]ncc2-c2ccnc(CCC)n2)CC1.
What is the InChIKey of 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is RUWLGMDSYQACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-5-17-20-10-7-16(22-17)15-13-21-23-19(15)14-8-11-24(12-9-14)18(25)6-4-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one?
1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-propylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 92590669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).