5-cyclopropyl-4-nitro-1H-pyrazole

C6H7N3O2 — CID 56777242

IUPAC5-cyclopropyl-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1C1CC1
InChIInChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChIKeyWRYNUOFZIOHDEB-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.20
Rot. Bonds2

About 5-cyclopropyl-4-nitro-1H-pyrazole

5-cyclopropyl-4-nitro-1H-pyrazole (PubChem CID 56777242) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-cyclopropyl-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-4-nitro-1H-pyrazole
PubChem CID56777242
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-cyclopropyl-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1C1CC1
InChIInChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChIKeyWRYNUOFZIOHDEB-UHFFFAOYSA-N
XLogP1.20
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-4-nitro-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(tert-butyl)-4-nitro-1H-pyrazole
CID 1473128
3-ethyl-4-nitro-1H-pyrazole
CID 12565207
3(5)-Isopropyl-4-nitro-1H-pyrazole
CID 61394753
3-cyclopropyl-1H-pyrazol-4-amine
CID 61395211
3-cyclobutyl-4-nitro-1H-pyrazole
CID 69281522
5-(1,1-difluoroethyl)-4-nitro-1H-pyrazole
CID 155858274
4-nitro-5-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 67325173
5-(2,2-difluoroethyl)-4-nitro-1H-pyrazole
CID 67450863
5-(4-azido-1-fluorocycloheptyl)-4-nitro-1H-pyrazole
CID 89456637
5-(1-fluorocyclohept-4-en-1-yl)-4-nitro-1H-pyrazole
CID 89457349
4-nitro-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
CID 135342051
4-nitro-5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 146470181

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-nitro-1H-pyrazole?
The IUPAC name of 5-cyclopropyl-4-nitro-1H-pyrazole (CID 56777242) is 5-cyclopropyl-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-4-nitro-1H-pyrazole?
The canonical SMILES for 5-cyclopropyl-4-nitro-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-nitro-1H-pyrazole?
The InChIKey is WRYNUOFZIOHDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8).
What are the key properties of 5-cyclopropyl-4-nitro-1H-pyrazole?
5-cyclopropyl-4-nitro-1H-pyrazole has a molecular weight of 153.14 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-nitro-1H-pyrazole is sourced from PubChem (CID 56777242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).