N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

C19H34N6O5 — CID 19529940

IUPACN-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C
InChIInChI=1S/C19H34N6O5/c1-5-7-9-11-22(12-10-8-6-2)13-15(3)20-17(26)14-23-16(4)18(24(27)28)19(21-23)25(29)30/h15H,5-14H2,1-4H3,(H,20,26)
InChIKeyNPWQXOXNIRUMPH-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.20
Rot. Bonds15

About N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (PubChem CID 19529940) has the molecular formula C19H34N6O5 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
PubChem CID19529940
Molecular FormulaC19H34N6O5
Molecular Weight426.52 g/mol
Exact Mass426.26
IUPAC NameN-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C
InChIInChI=1S/C19H34N6O5/c1-5-7-9-11-22(12-10-8-6-2)13-15(3)20-17(26)14-23-16(4)18(24(27)28)19(21-23)25(29)30/h15H,5-14H2,1-4H3,(H,20,26)
InChIKeyNPWQXOXNIRUMPH-UHFFFAOYSA-N
XLogP3.20
TPSA136.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
CID 19517493
N-[(2S)-butan-2-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749073
N-[1-(dipentylamino)propan-2-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4772547
N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521888
2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 171981638
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
CID 19527102
2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 43469345
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 19529994
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 749103
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 134054935
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19529942

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (CID 19529940) is N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is CCCCCN(CCCCC)CC(C)NC(=O)Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C.
What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The InChIKey is NPWQXOXNIRUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O5/c1-5-7-9-11-22(12-10-8-6-2)13-15(3)20-17(26)14-23-16(4)18(24(27)28)19(21-23)25(29)30/h15H,5-14H2,1-4H3,(H,20,26).
What are the key properties of N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.20, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).