1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine

C14H25N5O2 — CID 114504856

IUPAC1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
SMILESCCCc1nn(C)c(NC2CCN(C)CC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-6-12-13(19(20)21)14(18(4)16-12)15-11-7-8-17(3)9-10(11)2/h10-11,15H,5-9H2,1-4H3
InChIKeyDWPNLIDABNVTQR-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.03
Rot. Bonds5

About 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine

1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine (PubChem CID 114504856) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
PubChem CID114504856
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
SMILESCCCc1nn(C)c(NC2CCN(C)CC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-6-12-13(19(20)21)14(18(4)16-12)15-11-7-8-17(3)9-10(11)2/h10-11,15H,5-9H2,1-4H3
InChIKeyDWPNLIDABNVTQR-UHFFFAOYSA-N
XLogP2.03
TPSA76.23 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 ≤ 52.03
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 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine (CID 114504856) is 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine is CCCc1nn(C)c(NC2CCN(C)CC2C)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The InChIKey is DWPNLIDABNVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-6-12-13(19(20)21)14(18(4)16-12)15-11-7-8-17(3)9-10(11)2/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 114504856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).