4-nitro-N-propan-2-yl-1H-pyrazol-5-amine

C6H10N4O2 — CID 174648885

IUPAC4-nitro-N-propan-2-yl-1H-pyrazol-5-amine
SMILESCC(C)Nc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H10N4O2/c1-4(2)8-6-5(10(11)12)3-7-9-6/h3-4H,1-2H3,(H2,7,8,9)
InChIKeyMSZILMUSHUEHNG-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.14
Rot. Bonds3

About 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine

4-nitro-N-propan-2-yl-1H-pyrazol-5-amine (PubChem CID 174648885) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-N-propan-2-yl-1H-pyrazol-5-amine
PubChem CID174648885
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-nitro-N-propan-2-yl-1H-pyrazol-5-amine
SMILESCC(C)Nc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H10N4O2/c1-4(2)8-6-5(10(11)12)3-7-9-6/h3-4H,1-2H3,(H2,7,8,9)
InChIKeyMSZILMUSHUEHNG-UHFFFAOYSA-N
XLogP1.14
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine?
The IUPAC name of 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine (CID 174648885) is 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine?
The canonical SMILES for 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine is CC(C)Nc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine?
The InChIKey is MSZILMUSHUEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)8-6-5(10(11)12)3-7-9-6/h3-4H,1-2H3,(H2,7,8,9).
What are the key properties of 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine?
4-nitro-N-propan-2-yl-1H-pyrazol-5-amine has a molecular weight of 170.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-propan-2-yl-1H-pyrazol-5-amine is sourced from PubChem (CID 174648885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).