3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine

C11H18N4O2 — CID 113485574

IUPAC3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC1(C)CC1
InChIInChI=1S/C11H18N4O2/c1-4-7-14-10(12-11(3)5-6-11)9(15(16)17)8(2)13-14/h12H,4-7H2,1-3H3
InChIKeyNQFPYKZERFGBQL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.47
Rot. Bonds5

About 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine

3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine (PubChem CID 113485574) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
PubChem CID113485574
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC1(C)CC1
InChIInChI=1S/C11H18N4O2/c1-4-7-14-10(12-11(3)5-6-11)9(15(16)17)8(2)13-14/h12H,4-7H2,1-3H3
InChIKeyNQFPYKZERFGBQL-UHFFFAOYSA-N
XLogP2.47
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
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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Related Compounds

3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028385
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 83037075
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107389340
3-[[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]methyl]oxolan-3-ol
CID 106102031
N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013301
2-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]butan-1-ol
CID 66027030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine?
The IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine (CID 113485574) is 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NC1(C)CC1.
What is the InChIKey of 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine?
The InChIKey is NQFPYKZERFGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-7-14-10(12-11(3)5-6-11)9(15(16)17)8(2)13-14/h12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine?
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine is sourced from PubChem (CID 113485574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).