N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H19N5O5 — CID 19440785

IUPACN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1Oc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)cc([N+](=O)[O-])c1
InChIInChI=1S/C22H19N5O5/c1-13-8-14(2)26-21(24-13)18(12-23-26)22(28)25-15-9-16(27(29)30)11-17(10-15)32-20-7-5-4-6-19(20)31-3/h4-12H,1-3H3,(H,25,28)
InChIKeyQIWIPSZMGFIKJG-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.31
Rot. Bonds6

About N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440785) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440785
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1Oc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)cc([N+](=O)[O-])c1
InChIInChI=1S/C22H19N5O5/c1-13-8-14(2)26-21(24-13)18(12-23-26)22(28)25-15-9-16(27(29)30)11-17(10-15)32-20-7-5-4-6-19(20)31-3/h4-12H,1-3H3,(H,25,28)
InChIKeyQIWIPSZMGFIKJG-UHFFFAOYSA-N
XLogP4.31
TPSA120.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440712
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416796
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
CID 19474688
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416312
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide
CID 17021971
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534540
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
CID 19541613
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447232
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517005

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440785) is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1Oc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QIWIPSZMGFIKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-13-8-14(2)26-21(24-13)18(12-23-26)22(28)25-15-9-16(27(29)30)11-17(10-15)32-20-7-5-4-6-19(20)31-3/h4-12H,1-3H3,(H,25,28).
What are the key properties of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).