N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine

C10H14N6O2 — CID 4767668

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
SMILESCc1ccnn1CCCNc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O2/c1-8-3-5-13-15(8)6-2-4-11-10-9(16(17)18)7-12-14-10/h3,5,7H,2,4,6H2,1H3,(H2,11,12,14)
InChIKeySPSAEVOHFAJLJM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.33
Rot. Bonds6

About N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine

N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine (PubChem CID 4767668) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
PubChem CID4767668
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
SMILESCc1ccnn1CCCNc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O2/c1-8-3-5-13-15(8)6-2-4-11-10-9(16(17)18)7-12-14-10/h3,5,7H,2,4,6H2,1H3,(H2,11,12,14)
InChIKeySPSAEVOHFAJLJM-UHFFFAOYSA-N
XLogP1.33
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
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

3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole
CID 762763
5'-Methyl-4'-nitro-2'H-[1,3']bipyrazolyl
CID 534071
3-(3,5-Dimethylpyrazol-1-yl)-4-nitro-pyrazole
CID 12560578
3-(3,5-Di-methyl-4-nitropyrazol-1-yl)-4-nitropyrazole
CID 12996048
N-{3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-N-(4-nitro-1H-pyrazol-5-YL)amine
CID 4767672
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 71978653
[(1,5-Dimethylpyrazol-4-yl)methyl](4-nitropyrazol-5-yl)amine
CID 4767572
4-nitro-1-(1H-pyrazol-5-yl)pyrazole
CID 53631087
2-iodopropane;methane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
CID 163735878
2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
CID 163760183
methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
CID 163863592
4-nitro-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1H-pyrazol-5-amine
CID 4767316

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine (CID 4767668) is N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine is Cc1ccnn1CCCNc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine?
The InChIKey is SPSAEVOHFAJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-8-3-5-13-15(8)6-2-4-11-10-9(16(17)18)7-12-14-10/h3,5,7H,2,4,6H2,1H3,(H2,11,12,14).
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine?
N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine has a molecular weight of 250.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine is sourced from PubChem (CID 4767668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).