N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide

C16H20N4O3 — CID 97217056

IUPACN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
SMILESCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cnn(CC)c1
InChIInChI=1S/C16H20N4O3/c1-3-15(13-10-17-19(4-2)11-13)18-16(21)9-12-6-5-7-14(8-12)20(22)23/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyNKOYQYYNJWYRON-OAHLLOKOSA-N
MW316.36 g/mol
LogP2.62
Rot. Bonds7

About N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide

N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide (PubChem CID 97217056) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
PubChem CID97217056
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
SMILESCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cnn(CC)c1
InChIInChI=1S/C16H20N4O3/c1-3-15(13-10-17-19(4-2)11-13)18-16(21)9-12-6-5-7-14(8-12)20(22)23/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyNKOYQYYNJWYRON-OAHLLOKOSA-N
XLogP2.62
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
2-[[2-(3-nitrophenyl)acetyl]amino]pentanoic acid
CID 115923925
2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide
CID 126827782
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
(3R)-3-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6925532
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
CID 120611695
(3R)-3-[[2-(4-methoxyphenyl)acetyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 1271486

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide (CID 97217056) is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide is CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cnn(CC)c1.
What is the InChIKey of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is NKOYQYYNJWYRON-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-15(13-10-17-19(4-2)11-13)18-16(21)9-12-6-5-7-14(8-12)20(22)23/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide?
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 97217056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).