2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide

C19H23FN4O3 — CID 110248582

IUPAC2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CCCO1
InChIInChI=1S/C19H23FN4O3/c1-19(7-4-8-27-19)13-21-18(26)12-24-11-15(10-22-24)23-17(25)9-14-5-2-3-6-16(14)20/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyZAPFAYDNXLHHSK-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.89
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide

2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 110248582) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID110248582
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CCCO1
InChIInChI=1S/C19H23FN4O3/c1-19(7-4-8-27-19)13-21-18(26)12-24-11-15(10-22-24)23-17(25)9-14-5-2-3-6-16(14)20/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyZAPFAYDNXLHHSK-UHFFFAOYSA-N
XLogP1.89
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 110248582) is 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide is CC1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CCCO1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is ZAPFAYDNXLHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-19(7-4-8-27-19)13-21-18(26)12-24-11-15(10-22-24)23-17(25)9-14-5-2-3-6-16(14)20/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 110248582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).