N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide

C18H26N4O4 — CID 19558140

IUPACN-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]
InChIInChI=1S/C18H26N4O4/c1-26-17-15(22(24)25)10-21(20-17)3-2-16(23)19-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14H,2-9,11H2,1H3,(H,19,23)
InChIKeyVYJQSBIFZACCBT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.52
Rot. Bonds7

About N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide

N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide (PubChem CID 19558140) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
PubChem CID19558140
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]
InChIInChI=1S/C18H26N4O4/c1-26-17-15(22(24)25)10-21(20-17)3-2-16(23)19-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14H,2-9,11H2,1H3,(H,19,23)
InChIKeyVYJQSBIFZACCBT-UHFFFAOYSA-N
XLogP2.52
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
N-(1-adamantylmethyl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 48981870
N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516008
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558273
N-(2-hydroxy-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558283
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19557989
methyl 5-carbamoyl-2-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19558064
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927631

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide (CID 19558140) is N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide is COc1nn(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-].
What is the InChIKey of N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The InChIKey is VYJQSBIFZACCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-26-17-15(22(24)25)10-21(20-17)3-2-16(23)19-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14H,2-9,11H2,1H3,(H,19,23).
What are the key properties of N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19558140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).