3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide

C16H27N5O3 — CID 119826337

IUPAC3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCNCC1
InChIInChI=1S/C16H27N5O3/c1-4-10-19(14-5-8-17-9-6-14)15(22)7-11-20-13(3)16(21(23)24)12(2)18-20/h14,17H,4-11H2,1-3H3
InChIKeyPSDBGHYMCDBIRZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.79
Rot. Bonds7

About 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119826337) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119826337
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCNCC1
InChIInChI=1S/C16H27N5O3/c1-4-10-19(14-5-8-17-9-6-14)15(22)7-11-20-13(3)16(21(23)24)12(2)18-20/h14,17H,4-11H2,1-3H3
InChIKeyPSDBGHYMCDBIRZ-UHFFFAOYSA-N
XLogP1.79
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.79
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-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823671
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl-ethylamino]propanoic acid
CID 119191397
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825475
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825474
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120575298
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655946
N-piperidin-4-yl-N-propylhexanamide
CID 60807623

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (CID 119826337) is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCNCC1.
What is the InChIKey of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is PSDBGHYMCDBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-10-19(14-5-8-17-9-6-14)15(22)7-11-20-13(3)16(21(23)24)12(2)18-20/h14,17H,4-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119826337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).