1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone

C20H21FN4O — CID 164719249

IUPAC1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cnn(CC2CC2)c1
InChIInChI=1S/C20H21FN4O/c1-13-7-18(8-16-10-22-24(12-16)11-15-3-4-15)25(23-13)20-6-5-17(21)9-19(20)14(2)26/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3
InChIKeyBAINMLPFJBPOMM-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone

1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone (PubChem CID 164719249) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
PubChem CID164719249
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cnn(CC2CC2)c1
InChIInChI=1S/C20H21FN4O/c1-13-7-18(8-16-10-22-24(12-16)11-15-3-4-15)25(23-13)20-6-5-17(21)9-19(20)14(2)26/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3
InChIKeyBAINMLPFJBPOMM-UHFFFAOYSA-N
XLogP3.72
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone (CID 164719249) is 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cnn(CC2CC2)c1.
What is the InChIKey of 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone?
The InChIKey is BAINMLPFJBPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-7-18(8-16-10-22-24(12-16)11-15-3-4-15)25(23-13)20-6-5-17(21)9-19(20)14(2)26/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3.
What are the key properties of 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone?
1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone has a molecular weight of 352.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 164719249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).