1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine

C17H25N7O2 — CID 133307279

IUPAC1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine
SMILESCc1nn(C)c(NC(C)CN2CCN(c3ccccn3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N7O2/c1-13(19-17-16(24(25)26)14(2)20-21(17)3)12-22-8-10-23(11-9-22)15-6-4-5-7-18-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyXLCBZUACDXZNOM-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.65
Rot. Bonds6

About 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine

1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine (PubChem CID 133307279) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine
PubChem CID133307279
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine
SMILESCc1nn(C)c(NC(C)CN2CCN(c3ccccn3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N7O2/c1-13(19-17-16(24(25)26)14(2)20-21(17)3)12-22-8-10-23(11-9-22)15-6-4-5-7-18-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyXLCBZUACDXZNOM-UHFFFAOYSA-N
XLogP1.65
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-3-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 86969788
4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 133307289
1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
CID 66012792
1-methyl-3-(4-nitrophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 86968975
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133307215
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 97213858
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine (CID 133307279) is 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine is Cc1nn(C)c(NC(C)CN2CCN(c3ccccn3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine?
The InChIKey is XLCBZUACDXZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-13(19-17-16(24(25)26)14(2)20-21(17)3)12-22-8-10-23(11-9-22)15-6-4-5-7-18-15/h4-7,13,19H,8-12H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine?
1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine has a molecular weight of 359.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine is sourced from PubChem (CID 133307279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).