N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide

C18H23ClN4O3 — CID 24815832

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNC2CCOCC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H23ClN4O3/c1-23-18(15(19)10-21-23)14-9-13(3-4-16(14)25-2)22-17(24)11-20-12-5-7-26-8-6-12/h3-4,9-10,12,20H,5-8,11H2,1-2H3,(H,22,24)
InChIKeyPAHHUCLXHTWHHN-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.46
Rot. Bonds6

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide (PubChem CID 24815832) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
PubChem CID24815832
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNC2CCOCC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H23ClN4O3/c1-23-18(15(19)10-21-23)14-9-13(3-4-16(14)25-2)22-17(24)11-20-12-5-7-26-8-6-12/h3-4,9-10,12,20H,5-8,11H2,1-2H3,(H,22,24)
InChIKeyPAHHUCLXHTWHHN-UHFFFAOYSA-N
XLogP2.46
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide (CID 24815832) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide is COc1ccc(NC(=O)CNC2CCOCC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide?
The InChIKey is PAHHUCLXHTWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-23-18(15(19)10-21-23)14-9-13(3-4-16(14)25-2)22-17(24)11-20-12-5-7-26-8-6-12/h3-4,9-10,12,20H,5-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide has a molecular weight of 378.86 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide is sourced from PubChem (CID 24815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).