N-cyclohexyl-5-nitro-1H-pyrazol-4-amine

C9H14N4O2 — CID 19827724

IUPACN-cyclohexyl-5-nitro-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NC1CCCCC1
InChIInChI=1S/C9H14N4O2/c14-13(15)9-8(6-10-12-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2,(H,10,12)
InChIKeyYZZQIAFTDKKUAF-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.06
Rot. Bonds3

About N-cyclohexyl-5-nitro-1H-pyrazol-4-amine

N-cyclohexyl-5-nitro-1H-pyrazol-4-amine (PubChem CID 19827724) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-cyclohexyl-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-nitro-1H-pyrazol-4-amine
PubChem CID19827724
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-cyclohexyl-5-nitro-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NC1CCCCC1
InChIInChI=1S/C9H14N4O2/c14-13(15)9-8(6-10-12-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2,(H,10,12)
InChIKeyYZZQIAFTDKKUAF-UHFFFAOYSA-N
XLogP2.06
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.06
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-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 82236204
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955889
N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
N-[(4S)-4-methoxypyrrolidin-3-yl]-5-nitro-1H-pyrazol-4-amine
CID 114988367
5-nitro-N-[2-(oxolan-2-yl)ethyl]-1H-pyrazol-4-amine
CID 114988277
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748879
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-cyclohexyl-5-nitro-1H-pyrazol-4-amine (CID 19827724) is N-cyclohexyl-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-cyclohexyl-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-cyclohexyl-5-nitro-1H-pyrazol-4-amine is O=[N+]([O-])c1[nH]ncc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-nitro-1H-pyrazol-4-amine?
The InChIKey is YZZQIAFTDKKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-13(15)9-8(6-10-12-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2,(H,10,12).
What are the key properties of N-cyclohexyl-5-nitro-1H-pyrazol-4-amine?
N-cyclohexyl-5-nitro-1H-pyrazol-4-amine has a molecular weight of 210.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 19827724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).