N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine

C12H15N5O3 — CID 66280045

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
SMILESCOCCn1cc(Nc2ncc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O3/c1-9-5-11(17(18)19)12(13-6-9)15-10-7-14-16(8-10)3-4-20-2/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyVWWHFXHRMRLTJZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.88
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine (PubChem CID 66280045) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
PubChem CID66280045
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
SMILESCOCCn1cc(Nc2ncc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O3/c1-9-5-11(17(18)19)12(13-6-9)15-10-7-14-16(8-10)3-4-20-2/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyVWWHFXHRMRLTJZ-UHFFFAOYSA-N
XLogP1.88
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.88
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'}

Analyze N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 104507899
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-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
4-N-(5-methyl-3-nitro-2-pyridinyl)benzene-1,4-diamine
CID 66279805
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
N-(3-chloro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 104835836
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-nitrobenzonitrile
CID 104717790
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 103883727

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine (CID 66280045) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine is COCCn1cc(Nc2ncc(C)cc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine?
The InChIKey is VWWHFXHRMRLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-9-5-11(17(18)19)12(13-6-9)15-10-7-14-16(8-10)3-4-20-2/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine has a molecular weight of 277.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 66280045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).