3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide

C19H26N4O3 — CID 125177331

IUPAC3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide
SMILESCCC[C@@H](C)n1nccc1NC(=O)N1CC(Oc2ccccc2OC)C1
InChIInChI=1S/C19H26N4O3/c1-4-7-14(2)23-18(10-11-20-23)21-19(24)22-12-15(13-22)26-17-9-6-5-8-16(17)25-3/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyOYAILCYVAPCECR-CQSZACIVSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide

3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide (PubChem CID 125177331) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide
PubChem CID125177331
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide
SMILESCCC[C@@H](C)n1nccc1NC(=O)N1CC(Oc2ccccc2OC)C1
InChIInChI=1S/C19H26N4O3/c1-4-7-14(2)23-18(10-11-20-23)21-19(24)22-12-15(13-22)26-17-9-6-5-8-16(17)25-3/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyOYAILCYVAPCECR-CQSZACIVSA-N
XLogP3.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide (CID 125177331) is 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide is CCC[C@@H](C)n1nccc1NC(=O)N1CC(Oc2ccccc2OC)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide?
The InChIKey is OYAILCYVAPCECR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-7-14(2)23-18(10-11-20-23)21-19(24)22-12-15(13-22)26-17-9-6-5-8-16(17)25-3/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide?
3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 125177331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).