[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine

C14H24N4O3 — CID 66019671

IUPAC[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine
SMILESCCCc1nn(C)c(OC2CCCCC2CN)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O3/c1-3-6-11-13(18(19)20)14(17(2)16-11)21-12-8-5-4-7-10(12)9-15/h10,12H,3-9,15H2,1-2H3
InChIKeyUFGHQYYTMASWPX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.18
Rot. Bonds6

About [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine

[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine (PubChem CID 66019671) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine
PubChem CID66019671
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine
SMILESCCCc1nn(C)c(OC2CCCCC2CN)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O3/c1-3-6-11-13(18(19)20)14(17(2)16-11)21-12-8-5-4-7-10(12)9-15/h10,12H,3-9,15H2,1-2H3
InChIKeyUFGHQYYTMASWPX-UHFFFAOYSA-N
XLogP2.18
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.18
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

[2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxymethyl]cyclopentyl]methanamine
CID 66019673
N-methyl-1-[3-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclobutyl]methanamine
CID 66020059
[1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)pyrrolidin-2-yl]methanamine
CID 115313260
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxymethyl]piperidine
CID 66017346
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cycloheptane-1,2-diamine
CID 66017704
3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxycyclohexan-1-amine
CID 79465434
3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxy-4-methylpiperidine
CID 102954468
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
1-methyl-4-nitro-N-(piperidin-2-ylmethyl)-3-propylpyrazol-5-amine
CID 66017120
3-methyl-5-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxyphenol
CID 107680440
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine
CID 66020001

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine?
The IUPAC name of [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine (CID 66019671) is [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine.
What is the SMILES notation for [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine?
The canonical SMILES for [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine is CCCc1nn(C)c(OC2CCCCC2CN)c1[N+](=O)[O-].
What is the InChIKey of [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine?
The InChIKey is UFGHQYYTMASWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-6-11-13(18(19)20)14(17(2)16-11)21-12-8-5-4-7-10(12)9-15/h10,12H,3-9,15H2,1-2H3.
What are the key properties of [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine?
[2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine has a molecular weight of 296.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclohexyl]methanamine is sourced from PubChem (CID 66019671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).