1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine

C14H25N5O2 — CID 66012792

IUPAC1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)CN1CCCCC1
InChIInChI=1S/C14H25N5O2/c1-4-18-14(13(19(20)21)12(3)16-18)15-11(2)10-17-8-6-5-7-9-17/h11,15H,4-10H2,1-3H3
InChIKeyGZZMDPVTROHUCG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.41
Rot. Bonds6

About 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine

1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine (PubChem CID 66012792) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
PubChem CID66012792
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)CN1CCCCC1
InChIInChI=1S/C14H25N5O2/c1-4-18-14(13(19(20)21)12(3)16-18)15-11(2)10-17-8-6-5-7-9-17/h11,15H,4-10H2,1-3H3
InChIKeyGZZMDPVTROHUCG-UHFFFAOYSA-N
XLogP2.41
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine (CID 66012792) is 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NC(C)CN1CCCCC1.
What is the InChIKey of 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine?
The InChIKey is GZZMDPVTROHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-18-14(13(19(20)21)12(3)16-18)15-11(2)10-17-8-6-5-7-9-17/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine?
1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 66012792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).