5-(cyclopropylmethyl)-4-nitro-1H-pyrazole

C7H9N3O2 — CID 67449759

IUPAC5-(cyclopropylmethyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1CC1CC1
InChIInChI=1S/C7H9N3O2/c11-10(12)7-4-8-9-6(7)3-5-1-2-5/h4-5H,1-3H2,(H,8,9)
InChIKeyWPZJTLGFIYDCRO-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.27
Rot. Bonds3

About 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole

5-(cyclopropylmethyl)-4-nitro-1H-pyrazole (PubChem CID 67449759) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-nitro-1H-pyrazole
PubChem CID67449759
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(cyclopropylmethyl)-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1CC1CC1
InChIInChI=1S/C7H9N3O2/c11-10(12)7-4-8-9-6(7)3-5-1-2-5/h4-5H,1-3H2,(H,8,9)
InChIKeyWPZJTLGFIYDCRO-UHFFFAOYSA-N
XLogP1.27
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.27
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'}

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Related Compounds

5-chloro-4-nitro-1H-pyrazole
CID 18769507
5-[[(2S,5R,6S,7S)-5-azido-6-fluoro-7-methyloxepan-2-yl]methyl]-4-nitro-1H-pyrazole
CID 118385226
4-nitro-5-pyrrolidin-1-yl-1H-pyrazole
CID 134452939
[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
CID 83818386
N-(4-nitro-1H-pyrazol-5-yl)formamide
CID 174455927
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
prop-2-enyl 4-nitro-1H-pyrazole-5-carboxylate
CID 67199492
5-(cyclopropylmethyl)-1-methyl-2-nitroimidazole
CID 147867083
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 115039341
4-nitro-5-pentan-2-yl-1H-pyrazole
CID 165474911
2-(cyclopropylmethyl)-7-nitro-1H-indole
CID 163622923
5-[(2S,7S)-7-methyl-2,3,4,7-tetrahydrooxepin-2-yl]-4-nitro-1H-pyrazole
CID 144923479

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole?
The IUPAC name of 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole (CID 67449759) is 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole?
The canonical SMILES for 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole?
The InChIKey is WPZJTLGFIYDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-10(12)7-4-8-9-6(7)3-5-1-2-5/h4-5H,1-3H2,(H,8,9).
What are the key properties of 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole?
5-(cyclopropylmethyl)-4-nitro-1H-pyrazole has a molecular weight of 167.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-nitro-1H-pyrazole is sourced from PubChem (CID 67449759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).