1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine

C10H16N4O2 — CID 103724978

IUPAC1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NCC2(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-8(14(15)16)9(13(3)12-7)11-6-10(2)4-5-10/h11H,4-6H2,1-3H3
InChIKeyDABOROMAVLCMCP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.85
Rot. Bonds4

About 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine

1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine (PubChem CID 103724978) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
PubChem CID103724978
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NCC2(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-8(14(15)16)9(13(3)12-7)11-6-10(2)4-5-10/h11H,4-6H2,1-3H3
InChIKeyDABOROMAVLCMCP-UHFFFAOYSA-N
XLogP1.85
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.85
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
1-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66017426
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
1,3-dimethyl-N-[(4-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 43533042
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
1,3-dimethyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-nitropyrazol-5-amine
CID 71937496
1,3-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitropyrazol-5-amine
CID 60502592
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 63280496
N-[(4-ethylcyclohexyl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60972503

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine (CID 103724978) is 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine is Cc1nn(C)c(NCC2(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine?
The InChIKey is DABOROMAVLCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-8(14(15)16)9(13(3)12-7)11-6-10(2)4-5-10/h11H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine?
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine has a molecular weight of 224.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 103724978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).