1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine

C13H23N5O2 — CID 103080325

IUPAC1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
SMILESCCCN(CC1CCNCC1)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-8-17(9-11-4-6-14-7-5-11)13-12(18(19)20)10-16(2)15-13/h10-11,14H,3-9H2,1-2H3
InChIKeyLCZOISCDQMJNDU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.54
Rot. Bonds6

About 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine

1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine (PubChem CID 103080325) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
PubChem CID103080325
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
SMILESCCCN(CC1CCNCC1)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-8-17(9-11-4-6-14-7-5-11)13-12(18(19)20)10-16(2)15-13/h10-11,14H,3-9H2,1-2H3
InChIKeyLCZOISCDQMJNDU-UHFFFAOYSA-N
XLogP1.54
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.54
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-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine (CID 103080325) is 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine is CCCN(CC1CCNCC1)c1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine?
The InChIKey is LCZOISCDQMJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-8-17(9-11-4-6-14-7-5-11)13-12(18(19)20)10-16(2)15-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine?
1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine has a molecular weight of 281.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine is sourced from PubChem (CID 103080325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).