1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one

C15H18N2O2 — CID 116801605

IUPAC1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCCn1cc(Oc2ccccc2C(=O)CC)cn1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-11-12(10-16-17)19-15-8-6-5-7-13(15)14(18)4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyJDIKAJHWAYOSKD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.68
Rot. Bonds6

About 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one

1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one (PubChem CID 116801605) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
PubChem CID116801605
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCCn1cc(Oc2ccccc2C(=O)CC)cn1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-11-12(10-16-17)19-15-8-6-5-7-13(15)14(18)4-2/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyJDIKAJHWAYOSKD-UHFFFAOYSA-N
XLogP3.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
CID 116801615
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581
4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800467
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one?
The IUPAC name of 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one (CID 116801605) is 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one is CCCn1cc(Oc2ccccc2C(=O)CC)cn1.
What is the InChIKey of 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one?
The InChIKey is JDIKAJHWAYOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17-11-12(10-16-17)19-15-8-6-5-7-13(15)14(18)4-2/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one?
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one is sourced from PubChem (CID 116801605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).