N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide

C18H16N4O5 — CID 19474688

IUPACN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1Oc1cc(NC(=O)c2cnn(C)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O5/c1-21-11-12(10-19-21)18(23)20-13-7-14(22(24)25)9-15(8-13)27-17-6-4-3-5-16(17)26-2/h3-11H,1-2H3,(H,20,23)
InChIKeyLSVWVVRCOKHUJA-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.38
Rot. Bonds6

About N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide

N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 19474688) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
PubChem CID19474688
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1Oc1cc(NC(=O)c2cnn(C)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O5/c1-21-11-12(10-19-21)18(23)20-13-7-14(22(24)25)9-15(8-13)27-17-6-4-3-5-16(17)26-2/h3-11H,1-2H3,(H,20,23)
InChIKeyLSVWVVRCOKHUJA-UHFFFAOYSA-N
XLogP3.38
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide
CID 17021971
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460915
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
CID 19474596
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440785
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
2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
CID 19537697
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463175
2-[2-[3-(2-methoxyphenoxy)-5-nitroanilino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485642
4-bromo-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481124
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19465272
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide (CID 19474688) is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide is COc1ccccc1Oc1cc(NC(=O)c2cnn(C)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LSVWVVRCOKHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-21-11-12(10-19-21)18(23)20-13-7-14(22(24)25)9-15(8-13)27-17-6-4-3-5-16(17)26-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide?
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).