N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine

C8H13N5O2 — CID 115001791

IUPACN-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1[nH]ncc1NCCNC1CC1
InChIInChI=1S/C8H13N5O2/c14-13(15)8-7(5-11-12-8)10-4-3-9-6-1-2-6/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyQMFZXPHCGIUUJS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.48
Rot. Bonds6

About N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115001791) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
PubChem CID115001791
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1[nH]ncc1NCCNC1CC1
InChIInChI=1S/C8H13N5O2/c14-13(15)8-7(5-11-12-8)10-4-3-9-6-1-2-6/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyQMFZXPHCGIUUJS-UHFFFAOYSA-N
XLogP0.48
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
CID 54967766
5-nitro-N-[2-(oxolan-2-yl)ethyl]-1H-pyrazol-4-amine
CID 114988277
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
N-cyclohexyl-5-nitro-1H-pyrazol-4-amine
CID 19827724
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
3-[(5-nitro-1H-pyrazol-4-yl)amino]propane-1-sulfonamide
CID 114996232
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
ethyl 3-[(5-nitro-1H-pyrazol-4-yl)amino]propanoate
CID 114988498
N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
CID 62665396
N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide
CID 82238086

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine (CID 115001791) is N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine is O=[N+]([O-])c1[nH]ncc1NCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is QMFZXPHCGIUUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-13(15)8-7(5-11-12-8)10-4-3-9-6-1-2-6/h5-6,9-10H,1-4H2,(H,11,12).
What are the key properties of N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 211.22 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115001791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).