3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one

C16H16N4O — CID 103024371

IUPAC3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-19-13(9-11-17-19)7-8-16(21)15-10-12-20(18-15)14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKeyFKMJIHKIBFSEFB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one (PubChem CID 103024371) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
PubChem CID103024371
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-19-13(9-11-17-19)7-8-16(21)15-10-12-20(18-15)14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKeyFKMJIHKIBFSEFB-UHFFFAOYSA-N
XLogP2.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
4-ethylsulfonyl-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105103910
2-(4-bromophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078940
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
2-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078013
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023608
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one (CID 103024371) is 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one?
The InChIKey is FKMJIHKIBFSEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-13(9-11-17-19)7-8-16(21)15-10-12-20(18-15)14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103024371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).