3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one

C11H17N5O4 — CID 103080086

IUPAC3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCn1cc([N+](=O)[O-])c(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H17N5O4/c1-14-8-9(16(18)19)11(13-14)12-3-2-10(17)15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,13)
InChIKeyDNBBMIGTCKDTOO-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.01
Rot. Bonds5

About 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103080086) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID103080086
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCn1cc([N+](=O)[O-])c(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C11H17N5O4/c1-14-8-9(16(18)19)11(13-14)12-3-2-10(17)15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,13)
InChIKeyDNBBMIGTCKDTOO-UHFFFAOYSA-N
XLogP-0.01
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.01
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

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103080085
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 115669026
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
CID 103080082
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103877898
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 103080086) is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one is Cn1cc([N+](=O)[O-])c(NCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is DNBBMIGTCKDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-14-8-9(16(18)19)11(13-14)12-3-2-10(17)15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 283.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103080086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).