N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine

C13H24N4O2 — CID 66013524

IUPACN-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCCC(Cc1c([N+](=O)[O-])c(C(C)C)nn1C)NC
InChIInChI=1S/C13H24N4O2/c1-6-7-10(14-4)8-11-13(17(18)19)12(9(2)3)15-16(11)5/h9-10,14H,6-8H2,1-5H3
InChIKeyCXCUJCBKGVZLCO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds7

About N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine

N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 66013524) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine
PubChem CID66013524
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCCC(Cc1c([N+](=O)[O-])c(C(C)C)nn1C)NC
InChIInChI=1S/C13H24N4O2/c1-6-7-10(14-4)8-11-13(17(18)19)12(9(2)3)15-16(11)5/h9-10,14H,6-8H2,1-5H3
InChIKeyCXCUJCBKGVZLCO-UHFFFAOYSA-N
XLogP2.38
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
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

5-(2-chlorobutyl)-1-methyl-4-nitro-3-propan-2-ylpyrazole
CID 66013331
N-ethyl-3-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 66013325
5-(2-bromo-3-methoxypropyl)-1-methyl-4-nitro-3-propan-2-ylpyrazole
CID 66012350
3,3-dimethyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 66010785
N-butan-2-yl-1-methyl-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66019141
N,4-dimethyl-3-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pentan-2-amine
CID 66012148
N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
CID 63199835
2-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pentan-3-one
CID 66012930
5-(3-chloropentan-2-yl)-1-methyl-4-nitro-3-propan-2-ylpyrazole
CID 66011378
N-methyl-1-[1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-yl]methanamine
CID 66017059
1-methyl-4-nitro-3-propan-2-ylpyrazole-5-carboxylate
CID 7174458
3-[(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]-N-propylpropanamide
CID 66018195

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine (CID 66013524) is N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine is CCCC(Cc1c([N+](=O)[O-])c(C(C)C)nn1C)NC.
What is the InChIKey of N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is CXCUJCBKGVZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-7-10(14-4)8-11-13(17(18)19)12(9(2)3)15-16(11)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine?
N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 66013524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).