N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide

C7H10N4O3 — CID 175319345

IUPACN-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide
SMILESCCCc1[nH]nc(NC=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-2-3-5-6(11(13)14)7(8-4-12)10-9-5/h4H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyWZUKHJKLQMAFMU-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.84
Rot. Bonds5

About N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide

N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide (PubChem CID 175319345) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide.

Molecular Properties

Compound NameN-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide
PubChem CID175319345
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide
SMILESCCCc1[nH]nc(NC=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-2-3-5-6(11(13)14)7(8-4-12)10-9-5/h4H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyWZUKHJKLQMAFMU-UHFFFAOYSA-N
XLogP0.84
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide?
The IUPAC name of N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide (CID 175319345) is N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide.
What is the SMILES notation for N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide?
The canonical SMILES for N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide is CCCc1[nH]nc(NC=O)c1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide?
The InChIKey is WZUKHJKLQMAFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-3-5-6(11(13)14)7(8-4-12)10-9-5/h4H,2-3H2,1H3,(H2,8,9,10,12).
What are the key properties of N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide?
N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide has a molecular weight of 198.18 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide is sourced from PubChem (CID 175319345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).