2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol

C6H10N4O3 — CID 82238092

IUPAC2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H10N4O3/c1-4(3-11)8-5-2-7-9-6(5)10(12)13/h2,4,8,11H,3H2,1H3,(H,7,9)
InChIKeyMLSRLVNQKPQSEC-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.11
Rot. Bonds4

About 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol

2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol (PubChem CID 82238092) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
PubChem CID82238092
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H10N4O3/c1-4(3-11)8-5-2-7-9-6(5)10(12)13/h2,4,8,11H,3H2,1H3,(H,7,9)
InChIKeyMLSRLVNQKPQSEC-UHFFFAOYSA-N
XLogP0.11
TPSA104.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol (CID 82238092) is 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol is CC(CO)Nc1cn[nH]c1[N+](=O)[O-].
What is the InChIKey of 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol?
The InChIKey is MLSRLVNQKPQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-4(3-11)8-5-2-7-9-6(5)10(12)13/h2,4,8,11H,3H2,1H3,(H,7,9).
What are the key properties of 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol?
2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol has a molecular weight of 186.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 82238092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).