4-nitro-N,1-dipentylpyrazol-5-amine

C13H24N4O2 — CID 70391837

IUPAC4-nitro-N,1-dipentylpyrazol-5-amine
SMILESCCCCCNc1c([N+](=O)[O-])cnn1CCCCC
InChIInChI=1S/C13H24N4O2/c1-3-5-7-9-14-13-12(17(18)19)11-15-16(13)10-8-6-4-2/h11,14H,3-10H2,1-2H3
InChIKeyMLZKHMYGULGCDZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.58
Rot. Bonds10

About 4-nitro-N,1-dipentylpyrazol-5-amine

4-nitro-N,1-dipentylpyrazol-5-amine (PubChem CID 70391837) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-nitro-N,1-dipentylpyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-N,1-dipentylpyrazol-5-amine
PubChem CID70391837
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-nitro-N,1-dipentylpyrazol-5-amine
SMILESCCCCCNc1c([N+](=O)[O-])cnn1CCCCC
InChIInChI=1S/C13H24N4O2/c1-3-5-7-9-14-13-12(17(18)19)11-15-16(13)10-8-6-4-2/h11,14H,3-10H2,1-2H3
InChIKeyMLZKHMYGULGCDZ-UHFFFAOYSA-N
XLogP3.58
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-butyl-4-nitropyrazole-5-carbaldehyde
CID 139674849
1-(2-fluoroethyl)-4-methyl-N-pentylpyrazol-5-amine
CID 122168913
methyl 1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-4-nitropyrazole-5-carboxylate
CID 162731209
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
3,5-dinitro-N-octadecylpyridin-2-amine
CID 22155759
1-methyl-4-nitro-N-octadecylpyrazole-3-carboxamide
CID 19263859
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
N-hexyl-4-nitro-1H-pyrazole-5-carboxamide
CID 2840083
2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
CID 67636553
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N,1-dipentylpyrazol-5-amine?
The IUPAC name of 4-nitro-N,1-dipentylpyrazol-5-amine (CID 70391837) is 4-nitro-N,1-dipentylpyrazol-5-amine.
What is the SMILES notation for 4-nitro-N,1-dipentylpyrazol-5-amine?
The canonical SMILES for 4-nitro-N,1-dipentylpyrazol-5-amine is CCCCCNc1c([N+](=O)[O-])cnn1CCCCC.
What is the InChIKey of 4-nitro-N,1-dipentylpyrazol-5-amine?
The InChIKey is MLZKHMYGULGCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-7-9-14-13-12(17(18)19)11-15-16(13)10-8-6-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-nitro-N,1-dipentylpyrazol-5-amine?
4-nitro-N,1-dipentylpyrazol-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N,1-dipentylpyrazol-5-amine is sourced from PubChem (CID 70391837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).