(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide

C15H24N6O3 — CID 94139166

IUPAC(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
SMILESCc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N6O3/c1-10-13(21(23)24)15(18(3)17-10)20-8-6-19(7-9-20)11(2)14(22)16-12-4-5-12/h11-12H,4-9H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyUIKWAILHLNAHIB-LLVKDONJSA-N
MW336.40 g/mol
LogP0.43
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 94139166) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
PubChem CID94139166
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
SMILESCc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N6O3/c1-10-13(21(23)24)15(18(3)17-10)20-8-6-19(7-9-20)11(2)14(22)16-12-4-5-12/h11-12H,4-9H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyUIKWAILHLNAHIB-LLVKDONJSA-N
XLogP0.43
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide (CID 94139166) is (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide is Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-].
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is UIKWAILHLNAHIB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-10-13(21(23)24)15(18(3)17-10)20-8-6-19(7-9-20)11(2)14(22)16-12-4-5-12/h11-12H,4-9H2,1-3H3,(H,16,22)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 94139166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).