3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide

C16H18N8O4 — CID 71791142

IUPAC3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)Cn1nnn(-c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c1=O
InChIInChI=1S/C16H18N8O4/c1-17-13(25)9-23-16(27)24(21-20-23)11-6-4-10(5-7-11)18-14(26)12-8-22(2)19-15(12)28-3/h4-8H,9H2,1-3H3,(H,17,25)(H,18,26)
InChIKeyDWKQLOBBAQVTDY-UHFFFAOYSA-N
MW386.37 g/mol
LogP-0.83
Rot. Bonds6

About 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 71791142) has the molecular formula C16H18N8O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide
PubChem CID71791142
Molecular FormulaC16H18N8O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Name3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)Cn1nnn(-c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c1=O
InChIInChI=1S/C16H18N8O4/c1-17-13(25)9-23-16(27)24(21-20-23)11-6-4-10(5-7-11)18-14(26)12-8-22(2)19-15(12)28-3/h4-8H,9H2,1-3H3,(H,17,25)(H,18,26)
InChIKeyDWKQLOBBAQVTDY-UHFFFAOYSA-N
XLogP-0.83
TPSA137.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide
CID 71791204
N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079884
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
CID 71791110
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 71791091

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide (CID 71791142) is 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide is CNC(=O)Cn1nnn(-c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is DWKQLOBBAQVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O4/c1-17-13(25)9-23-16(27)24(21-20-23)11-6-4-10(5-7-11)18-14(26)12-8-22(2)19-15(12)28-3/h4-8H,9H2,1-3H3,(H,17,25)(H,18,26).
What are the key properties of 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 386.37 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[4-[4-[2-(methylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71791142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).