N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C22H23N5O5 — CID 121079968

IUPACN-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C22H23N5O5/c1-13(28)23-16-9-10-19(31-3)18(11-16)25-20(29)14-5-7-15(8-6-14)24-21(30)17-12-27(2)26-22(17)32-4/h5-12H,1-4H3,(H,23,28)(H,24,30)(H,25,29)
InChIKeyBQTGANHTGQZXHA-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.90
Rot. Bonds7

About N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121079968) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121079968
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC NameN-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C22H23N5O5/c1-13(28)23-16-9-10-19(31-3)18(11-16)25-20(29)14-5-7-15(8-6-14)24-21(30)17-12-27(2)26-22(17)32-4/h5-12H,1-4H3,(H,23,28)(H,24,30)(H,25,29)
InChIKeyBQTGANHTGQZXHA-UHFFFAOYSA-N
XLogP2.90
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
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
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24666834
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121079968) is N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1.
What is the InChIKey of N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is BQTGANHTGQZXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-13(28)23-16-9-10-19(31-3)18(11-16)25-20(29)14-5-7-15(8-6-14)24-21(30)17-12-27(2)26-22(17)32-4/h5-12H,1-4H3,(H,23,28)(H,24,30)(H,25,29).
What are the key properties of N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121079968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).