methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate

C16H20N4O4 — CID 90649934

IUPACmethyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCc1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C16H20N4O4/c1-11(19-16(22)24-3)15(21)17-8-12-9-18-20(10-12)13-6-4-5-7-14(13)23-2/h4-7,9-11H,8H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyUXYAYRLAAUYUNL-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.24
Rot. Bonds6

About methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 90649934) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID90649934
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Namemethyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCc1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C16H20N4O4/c1-11(19-16(22)24-3)15(21)17-8-12-9-18-20(10-12)13-6-4-5-7-14(13)23-2/h4-7,9-11H,8H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyUXYAYRLAAUYUNL-UHFFFAOYSA-N
XLogP1.24
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
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N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate (CID 90649934) is methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCc1cnn(-c2ccccc2OC)c1.
What is the InChIKey of methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is UXYAYRLAAUYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-11(19-16(22)24-3)15(21)17-8-12-9-18-20(10-12)13-6-4-5-7-14(13)23-2/h4-7,9-11H,8H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 90649934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).