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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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).