1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine

C15H25N5O2 — CID 133396201

IUPAC1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine
SMILESCc1nn(C)c(N2CCC(N3CCCC3C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O2/c1-11-5-4-8-19(11)13-6-9-18(10-7-13)15-14(20(21)22)12(2)16-17(15)3/h11,13H,4-10H2,1-3H3
InChIKeyFSLJUHJHOYKHPW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.09
Rot. Bonds3

About 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine

1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine (PubChem CID 133396201) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine
PubChem CID133396201
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine
SMILESCc1nn(C)c(N2CCC(N3CCCC3C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O2/c1-11-5-4-8-19(11)13-6-9-18(10-7-13)15-14(20(21)22)12(2)16-17(15)3/h11,13H,4-10H2,1-3H3
InChIKeyFSLJUHJHOYKHPW-UHFFFAOYSA-N
XLogP2.09
TPSA67.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
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-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine?
The IUPAC name of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine (CID 133396201) is 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine.
What is the SMILES notation for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine?
The canonical SMILES for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine is Cc1nn(C)c(N2CCC(N3CCCC3C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine?
The InChIKey is FSLJUHJHOYKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-5-4-8-19(11)13-6-9-18(10-7-13)15-14(20(21)22)12(2)16-17(15)3/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine?
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine has a molecular weight of 307.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine is sourced from PubChem (CID 133396201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).