N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine

C10H16N4O2 — CID 82236204

IUPACN-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCC1CCCC(Nc2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C10H16N4O2/c1-7-3-2-4-8(5-7)12-9-6-11-13-10(9)14(15)16/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyVXFZLIHTEDKKNQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds3

About N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine

N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (PubChem CID 82236204) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
PubChem CID82236204
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCC1CCCC(Nc2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C10H16N4O2/c1-7-3-2-4-8(5-7)12-9-6-11-13-10(9)14(15)16/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyVXFZLIHTEDKKNQ-UHFFFAOYSA-N
XLogP2.31
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyl-5-nitro-1H-pyrazol-4-amine
CID 19827724
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955889
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
N-(3-methylcyclohexyl)-4-nitro-1,3-benzothiazol-5-amine
CID 43451442
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine
CID 103079684
6-[(3-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451837
4-[(3-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 43428258
N-[(4S)-4-methoxypyrrolidin-3-yl]-5-nitro-1H-pyrazol-4-amine
CID 114988367
4-ethoxy-N-(3-methylcyclohexyl)-2-nitroaniline
CID 60780992

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (CID 82236204) is N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is CC1CCCC(Nc2cn[nH]c2[N+](=O)[O-])C1.
What is the InChIKey of N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The InChIKey is VXFZLIHTEDKKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-3-2-4-8(5-7)12-9-6-11-13-10(9)14(15)16/h6-8,12H,2-5H2,1H3,(H,11,13).
What are the key properties of N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine has a molecular weight of 224.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 82236204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).