5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide

C16H20N4O4 — CID 56872415

IUPAC5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(COc2ccccc2OC)[nH]n1
InChIInChI=1S/C16H20N4O4/c1-10(15(21)17-2)18-16(22)12-8-11(19-20-12)9-24-14-7-5-4-6-13(14)23-3/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyDVOLMLVCMUZZKA-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.86
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 56872415) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID56872415
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(COc2ccccc2OC)[nH]n1
InChIInChI=1S/C16H20N4O4/c1-10(15(21)17-2)18-16(22)12-8-11(19-20-12)9-24-14-7-5-4-6-13(14)23-3/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyDVOLMLVCMUZZKA-UHFFFAOYSA-N
XLogP0.86
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610
N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
N-[(2S)-2-hydroxybutyl]-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 95191354
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95401315
N-[(2R)-butan-2-yl]-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42197499
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-4-hydroxybutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95394193
5-[(3-methoxyphenoxy)methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 56756097
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide (CID 56872415) is 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide is CNC(=O)C(C)NC(=O)c1cc(COc2ccccc2OC)[nH]n1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is DVOLMLVCMUZZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(15(21)17-2)18-16(22)12-8-11(19-20-12)9-24-14-7-5-4-6-13(14)23-3/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56872415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).