N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine

C14H24N4O2 — CID 66028515

IUPACN-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(NC2CCC(C)C2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-8(2)17-14(13(18(19)20)11(5)16-17)15-12-7-6-9(3)10(12)4/h8-10,12,15H,6-7H2,1-5H3
InChIKeyOSDPHONKZBFGIH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.53
Rot. Bonds4

About N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine

N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine (PubChem CID 66028515) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
PubChem CID66028515
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(NC2CCC(C)C2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-8(2)17-14(13(18(19)20)11(5)16-17)15-12-7-6-9(3)10(12)4/h8-10,12,15H,6-7H2,1-5H3
InChIKeyOSDPHONKZBFGIH-UHFFFAOYSA-N
XLogP3.53
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.53
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

N-(2-ethylcyclohexyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029462
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CID 66188441
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66027716
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-amine
CID 107173655
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
CID 66026983
N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66026956
3-methyl-N-[(2-methylcyclohexyl)methyl]-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029272
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 130500598
3-methyl-4-nitro-1-propan-2-yl-N-(pyrrolidin-3-ylmethyl)pyrazol-5-amine
CID 80564001
N-(2,2-dimethylpropyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029461
3-methyl-4-nitro-1-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazol-5-amine
CID 79359954
3-methyl-4-nitro-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 66028676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine (CID 66028515) is N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine is Cc1nn(C(C)C)c(NC2CCC(C)C2C)c1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The InChIKey is OSDPHONKZBFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-8(2)17-14(13(18(19)20)11(5)16-17)15-12-7-6-9(3)10(12)4/h8-10,12,15H,6-7H2,1-5H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 66028515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).