1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine

C10H16N4O3 — CID 43554263

IUPAC1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-7-9(14(15)16)10(13(2)12-7)11-6-8-4-3-5-17-8/h8,11H,3-6H2,1-2H3
InChIKeyUYIBYMIXDRSWSZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.23
Rot. Bonds4

About 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine

1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine (PubChem CID 43554263) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
PubChem CID43554263
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-7-9(14(15)16)10(13(2)12-7)11-6-8-4-3-5-17-8/h8,11H,3-6H2,1-2H3
InChIKeyUYIBYMIXDRSWSZ-UHFFFAOYSA-N
XLogP1.23
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4-nitro-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 66028676
N-[(2-tert-butyloxan-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133308975
N-[(4-ethylmorpholin-2-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 115619052
1,3-dimethyl-4-nitro-N-[(2-phenyloxan-3-yl)methyl]pyrazol-5-amine
CID 47983510
1,3-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-nitropyrazol-5-amine
CID 133332154
N-[(4-ethylcyclohexyl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60972503
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 99836739
4-N-cyclohexyl-6-methyl-5-nitro-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51894223

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine (CID 43554263) is 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(NCC2CCCO2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
The InChIKey is UYIBYMIXDRSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-9(14(15)16)10(13(2)12-7)11-6-8-4-3-5-17-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine?
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine has a molecular weight of 240.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 43554263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).