1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine

C13H17N5O3 — CID 66011438

IUPAC1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCc1ccnc(OC)c1
InChIInChI=1S/C13H17N5O3/c1-4-17-13(12(18(19)20)9(2)16-17)15-8-10-5-6-14-11(7-10)21-3/h5-7,15H,4,8H2,1-3H3
InChIKeyINBPIRNWBQKFSO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.14
Rot. Bonds6

About 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine

1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine (PubChem CID 66011438) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine
PubChem CID66011438
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCc1ccnc(OC)c1
InChIInChI=1S/C13H17N5O3/c1-4-17-13(12(18(19)20)9(2)16-17)15-8-10-5-6-14-11(7-10)21-3/h5-7,15H,4,8H2,1-3H3
InChIKeyINBPIRNWBQKFSO-UHFFFAOYSA-N
XLogP2.14
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.14
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 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-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

1-ethyl-3-methyl-N-[(3-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 66011614
1-ethyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 66011244
1-ethyl-3-methyl-4-nitro-N-(pyridin-3-ylmethyl)pyrazol-5-amine
CID 66011411
N-[(2-chloro-4-pyridinyl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 125420653
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 66011236
N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030491
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028960
3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine
CID 66027020
4-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]phenol
CID 66011621
N-[2-(4-aminophenyl)ethyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66011658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine (CID 66011438) is 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NCc1ccnc(OC)c1.
What is the InChIKey of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine?
The InChIKey is INBPIRNWBQKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-17-13(12(18(19)20)9(2)16-17)15-8-10-5-6-14-11(7-10)21-3/h5-7,15H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine?
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine has a molecular weight of 291.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66011438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).