1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

C21H25FN4O — CID 46030186

IUPAC1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCn1cccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C21H25FN4O/c1-24-11-5-6-19(24)20-14-18(16-7-9-17(22)10-8-16)23-26(20)21(27)15-25-12-3-2-4-13-25/h5-11,20H,2-4,12-15H2,1H3
InChIKeyXWWFWNVJBJZGDU-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.33
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (PubChem CID 46030186) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
PubChem CID46030186
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCn1cccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C21H25FN4O/c1-24-11-5-6-19(24)20-14-18(16-7-9-17(22)10-8-16)23-26(20)21(27)15-25-12-3-2-4-13-25/h5-11,20H,2-4,12-15H2,1H3
InChIKeyXWWFWNVJBJZGDU-UHFFFAOYSA-N
XLogP3.33
TPSA40.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (CID 46030186) is 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is Cn1cccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The InChIKey is XWWFWNVJBJZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-24-11-5-6-19(24)20-14-18(16-7-9-17(22)10-8-16)23-26(20)21(27)15-25-12-3-2-4-13-25/h5-11,20H,2-4,12-15H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone has a molecular weight of 368.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 46030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).