1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one

C14H17N3O2 — CID 116801615

IUPAC1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
SMILESCCCn1cc(Oc2ccc(C(=O)CC)nc2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-7-17-10-12(9-16-17)19-11-5-6-13(15-8-11)14(18)4-2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyDPPDUFHVMCWKRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.07
Rot. Bonds6

About 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one

1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one (PubChem CID 116801615) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
PubChem CID116801615
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
SMILESCCCn1cc(Oc2ccc(C(=O)CC)nc2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-7-17-10-12(9-16-17)19-11-5-6-13(15-8-11)14(18)4-2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyDPPDUFHVMCWKRV-UHFFFAOYSA-N
XLogP3.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
CID 115940898
1-(5-octoxy-2-pyridinyl)propan-1-one
CID 112583834
2-(1-propylpyrazol-4-yl)oxybutanamide
CID 116804832
2-nitro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116800805
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one (CID 116801615) is 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one is CCCn1cc(Oc2ccc(C(=O)CC)nc2)cn1.
What is the InChIKey of 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one?
The InChIKey is DPPDUFHVMCWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-17-10-12(9-16-17)19-11-5-6-13(15-8-11)14(18)4-2/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one?
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one has a molecular weight of 259.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one is sourced from PubChem (CID 116801615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).