3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide

C14H23N5O3 — CID 119824565

IUPAC3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCNCC1
InChIInChI=1S/C14H23N5O3/c1-2-8-18(12-3-6-15-7-4-12)14(20)5-9-17-11-13(10-16-17)19(21)22/h10-12,15H,2-9H2,1H3
InChIKeyQPWFKXBVBCKUNF-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.17
Rot. Bonds7

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

3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119824565) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119824565
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCNCC1
InChIInChI=1S/C14H23N5O3/c1-2-8-18(12-3-6-15-7-4-12)14(20)5-9-17-11-13(10-16-17)19(21)22/h10-12,15H,2-9H2,1H3
InChIKeyQPWFKXBVBCKUNF-UHFFFAOYSA-N
XLogP1.17
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.17
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
1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 60805753
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826337
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
CID 120556078
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
CID 119823537
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
CID 66182453

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (CID 119824565) is 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCNCC1.
What is the InChIKey of 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is QPWFKXBVBCKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-2-8-18(12-3-6-15-7-4-12)14(20)5-9-17-11-13(10-16-17)19(21)22/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119824565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).