N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide

C20H37N5O3 — CID 4772547

IUPACN-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C20H37N5O3/c1-5-7-9-12-23(13-10-8-6-2)16-17(3)22-20(26)11-14-24-18(4)19(15-21-24)25(27)28/h15,17H,5-14,16H2,1-4H3,(H,22,26)
InChIKeyGREXOXBZAZJLPC-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.68
Rot. Bonds15

About N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide

N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 4772547) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID4772547
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC NameN-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)CCn1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C20H37N5O3/c1-5-7-9-12-23(13-10-8-6-2)16-17(3)22-20(26)11-14-24-18(4)19(15-21-24)25(27)28/h15,17H,5-14,16H2,1-4H3,(H,22,26)
InChIKeyGREXOXBZAZJLPC-UHFFFAOYSA-N
XLogP3.68
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate
CID 19568065
3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19561748
N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529940
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4770962
N-(4-methyl-3,5-dinitrophenyl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568150
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
1-methyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylic acid
CID 19406107
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4866924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568021
3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
CID 19568070
ethyl (2R)-2-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate
CID 19584451
N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide (CID 4772547) is N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide is CCCCCN(CCCCC)CC(C)NC(=O)CCn1ncc([N+](=O)[O-])c1C.
What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is GREXOXBZAZJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3/c1-5-7-9-12-23(13-10-8-6-2)16-17(3)22-20(26)11-14-24-18(4)19(15-21-24)25(27)28/h15,17H,5-14,16H2,1-4H3,(H,22,26).
What are the key properties of N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide?
N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 3.68, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4772547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).