[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C20H21FN4O — CID 71830195

IUPAC[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C20H21FN4O/c1-24-10-2-3-19(24)20(26)25-11-8-15(9-12-25)18-13-17(22-23-18)14-4-6-16(21)7-5-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyBPRKKDNUHMEKJD-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.57
Rot. Bonds3

About [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 71830195) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID71830195
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C20H21FN4O/c1-24-10-2-3-19(24)20(26)25-11-8-15(9-12-25)18-13-17(22-23-18)14-4-6-16(21)7-5-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyBPRKKDNUHMEKJD-UHFFFAOYSA-N
XLogP3.57
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 71830195) is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is BPRKKDNUHMEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24-10-2-3-19(24)20(26)25-11-8-15(9-12-25)18-13-17(22-23-18)14-4-6-16(21)7-5-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 352.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 71830195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).