1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine

C21H27FN4O — CID 16189902

IUPAC[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)N4CCCC4
InChIInChI=1S/C21H27FN4O/c1-24-14-17(20(23-24)18-6-2-3-7-19(18)22)15-25-12-8-16(9-13-25)21(27)26-10-4-5-11-26/h2-3,6-7,14,16H,4-5,8-13,15H2,1H3
InChIKeyQIGQYIHJMBKWLH-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.30
Rot. Bonds4

About 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine

1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine (PubChem CID 16189902) has the molecular formula C21H27FN4O and a molecular weight of 370.50 g/mol. Its IUPAC name is [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
PubChem CID16189902
Molecular FormulaC21H27FN4O
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)N4CCCC4
InChIInChI=1S/C21H27FN4O/c1-24-14-17(20(23-24)18-6-2-3-7-19(18)22)15-25-12-8-16(9-13-25)21(27)26-10-4-5-11-26/h2-3,6-7,14,16H,4-5,8-13,15H2,1H3
InChIKeyQIGQYIHJMBKWLH-UHFFFAOYSA-N
XLogP2.30
TPSA41.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity504

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine?
The IUPAC name of 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine (CID 16189902) is [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine?
The canonical SMILES for 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine is CN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)C(=O)N4CCCC4.
What is the InChIKey of 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine?
The InChIKey is QIGQYIHJMBKWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-24-14-17(20(23-24)18-6-2-3-7-19(18)22)15-25-12-8-16(9-13-25)21(27)26-10-4-5-11-26/h2-3,6-7,14,16H,4-5,8-13,15H2,1H3.
What are the key properties of 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine?
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine has a molecular weight of 370.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine is sourced from PubChem (CID 16189902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).