N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine

C12H13FN4O3 — CID 62375922

IUPACN-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(Nc2cc(F)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H13FN4O3/c1-20-5-4-16-8-10(7-14-16)15-11-6-9(13)2-3-12(11)17(18)19/h2-3,6-8,15H,4-5H2,1H3
InChIKeyNOFWJTNOPBEMSP-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.32
Rot. Bonds6

About N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine

N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 62375922) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID62375922
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC NameN-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(Nc2cc(F)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H13FN4O3/c1-20-5-4-16-8-10(7-14-16)15-11-6-9(13)2-3-12(11)17(18)19/h2-3,6-8,15H,4-5H2,1H3
InChIKeyNOFWJTNOPBEMSP-UHFFFAOYSA-N
XLogP2.32
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-3-nitropyridin-2-amine
CID 81139034
6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
CID 115321490
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-nitrobenzonitrile
CID 104717790
N-(3-chloro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 104835836
3-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 104507899
5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
CID 18994149
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
(2R)-1-[4-(4-fluoro-2-nitroanilino)pyrazol-1-yl]-3-[methoxy(methyl)amino]propan-2-ol
CID 95632425
N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446885
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
3,5-difluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzonitrile
CID 81293517

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine (CID 62375922) is N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(Nc2cc(F)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is NOFWJTNOPBEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-20-5-4-16-8-10(7-14-16)15-11-6-9(13)2-3-12(11)17(18)19/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine?
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 280.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 62375922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).