1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide

C13H21N5O4 — CID 51616577

IUPAC1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C13H21N5O4/c1-3-17-12(11(8-14-17)18(20)21)13(19)15-10(2)9-16-4-6-22-7-5-16/h8,10H,3-7,9H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyRZLAWJOITQKFON-JTQLQIEISA-N
MW311.34 g/mol
LogP0.26
Rot. Bonds6

About 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide

1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide (PubChem CID 51616577) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
PubChem CID51616577
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C13H21N5O4/c1-3-17-12(11(8-14-17)18(20)21)13(19)15-10(2)9-16-4-6-22-7-5-16/h8,10H,3-7,9H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyRZLAWJOITQKFON-JTQLQIEISA-N
XLogP0.26
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.26
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

1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
CID 19476369
1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
CID 51390208
1-ethyl-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 4772972
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
methyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]acetate
CID 19476462
N-[3-(dimethylamino)propyl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476403
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94025927
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
CID 4767952
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619
N-(4-tert-butylcyclohexyl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19575478
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 19575831

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide (CID 51616577) is 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide is CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCOCC1.
What is the InChIKey of 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide?
The InChIKey is RZLAWJOITQKFON-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O4/c1-3-17-12(11(8-14-17)18(20)21)13(19)15-10(2)9-16-4-6-22-7-5-16/h8,10H,3-7,9H2,1-2H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide?
1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 51616577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).