1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine

C14H25N5O2 — CID 66028595

IUPAC1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(C)N)CC1
InChIInChI=1S/C14H25N5O2/c1-4-7-18-14(13(19(20)21)11(3)16-18)17-8-5-12(6-9-17)10(2)15/h10,12H,4-9,15H2,1-3H3
InChIKeyUVVHAUYGKVKJHD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine

1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine (PubChem CID 66028595) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
PubChem CID66028595
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(C)N)CC1
InChIInChI=1S/C14H25N5O2/c1-4-7-18-14(13(19(20)21)11(3)16-18)17-8-5-12(6-9-17)10(2)15/h10,12H,4-9,15H2,1-3H3
InChIKeyUVVHAUYGKVKJHD-UHFFFAOYSA-N
XLogP2.07
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.07
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-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine (CID 66028595) is 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine is CCCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine?
The InChIKey is UVVHAUYGKVKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-7-18-14(13(19(20)21)11(3)16-18)17-8-5-12(6-9-17)10(2)15/h10,12H,4-9,15H2,1-3H3.
What are the key properties of 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine?
1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 66028595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).