1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one

C14H17N3O — CID 105082099

IUPAC1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESCCCn1cc(C(=O)CCc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-8-17-11-13(10-16-17)14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11H,2,5-6,8H2,1H3
InChIKeyGGRCUKWPHZXSMB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.50
Rot. Bonds6

About 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one

1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105082099) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID105082099
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESCCCn1cc(C(=O)CCc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-8-17-11-13(10-16-17)14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11H,2,5-6,8H2,1H3
InChIKeyGGRCUKWPHZXSMB-UHFFFAOYSA-N
XLogP2.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one (CID 105082099) is 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one is CCCn1cc(C(=O)CCc2cccnc2)cn1.
What is the InChIKey of 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is GGRCUKWPHZXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-8-17-11-13(10-16-17)14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11H,2,5-6,8H2,1H3.
What are the key properties of 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one?
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).