3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine

C15H27N5O2 — CID 133440603

IUPAC3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCCCN2CCC(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H27N5O2/c1-4-13-14(20(21)22)15(18(3)17-13)16-8-5-9-19-10-6-12(2)7-11-19/h12,16H,4-11H2,1-3H3
InChIKeyVDVSQZZLFKDPBW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.42
Rot. Bonds7

About 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine

3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine (PubChem CID 133440603) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine
PubChem CID133440603
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCCCN2CCC(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H27N5O2/c1-4-13-14(20(21)22)15(18(3)17-13)16-8-5-9-19-10-6-12(2)7-11-19/h12,16H,4-11H2,1-3H3
InChIKeyVDVSQZZLFKDPBW-UHFFFAOYSA-N
XLogP2.42
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
3-ethyl-1-methyl-N-[(3-methylcyclopentyl)methyl]-4-nitropyrazol-5-amine
CID 107413801
3-ethyl-1-methyl-4-nitro-N-(2-pyrrolidin-2-ylethyl)pyrazol-5-amine
CID 114794452
N-ethyl-N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66015428
3-ethyl-1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-5-amine
CID 66015007
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
3-ethyl-1-methyl-4-nitro-N-(piperidin-4-ylmethyl)pyrazol-5-amine
CID 66016615
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
CID 83025580
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N'-propan-2-ylethane-1,2-diamine
CID 66015633
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
3-ethyl-1-methyl-4-nitro-N-(2,3,3-trimethylbutyl)pyrazol-5-amine
CID 83093739

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine (CID 133440603) is 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine is CCc1nn(C)c(NCCCN2CCC(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine?
The InChIKey is VDVSQZZLFKDPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-4-13-14(20(21)22)15(18(3)17-13)16-8-5-9-19-10-6-12(2)7-11-19/h12,16H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine?
3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine has a molecular weight of 309.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 133440603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).