1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine

C11H18N4O2 — CID 103079684

IUPAC1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine
SMILESCC1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H18N4O2/c1-8-4-3-5-9(6-8)12-11-10(15(16)17)7-14(2)13-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyGZHUZCDDFMFYBL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine

1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine (PubChem CID 103079684) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine
PubChem CID103079684
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine
SMILESCC1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H18N4O2/c1-8-4-3-5-9(6-8)12-11-10(15(16)17)7-14(2)13-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyGZHUZCDDFMFYBL-UHFFFAOYSA-N
XLogP2.32
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.32
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

1-methyl-4-nitro-N-(oxan-4-yl)pyrazol-3-amine
CID 103079711
1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
CID 103079772
methyl 6-[(3-methylcyclohexyl)amino]-5-nitropyridine-2-carboxylate
CID 114403615
N-(3-ethyl-2-methylcyclopentyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079965
ethyl 4-[(1-methyl-4-nitropyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103079671
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
N-(3-methylcyclohexyl)-4-nitro-1,3-benzoxazol-2-amine
CID 79882624
2-bromo-4-methyl-N-[(1S,3R)-3-methylcyclohexyl]-6-nitroaniline
CID 171748706
N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 82236204
4-[(3-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 43428258
3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 54922898
4-ethoxy-N-(3-methylcyclohexyl)-2-nitroaniline
CID 60780992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine (CID 103079684) is 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine is CC1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine?
The InChIKey is GZHUZCDDFMFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-4-3-5-9(6-8)12-11-10(15(16)17)7-14(2)13-11/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine?
1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).