N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H23FN4O2 — CID 24793190

IUPACN-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1
InChIInChI=1S/C20H23FN4O2/c21-17-4-2-1-3-15(17)13-19(26)24-11-8-16(9-12-24)25-18(7-10-22-25)23-20(27)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,23,27)
InChIKeyJMWRKORJPBKLTI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.78
Rot. Bonds5

About N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793190) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793190
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1
InChIInChI=1S/C20H23FN4O2/c21-17-4-2-1-3-15(17)13-19(26)24-11-8-16(9-12-24)25-18(7-10-22-25)23-20(27)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,23,27)
InChIKeyJMWRKORJPBKLTI-UHFFFAOYSA-N
XLogP2.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793190) is N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is JMWRKORJPBKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-4-2-1-3-15(17)13-19(26)24-11-8-16(9-12-24)25-18(7-10-22-25)23-20(27)14-5-6-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,23,27).
What are the key properties of N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).