(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone

C10H14N4O3 — CID 844675

IUPAC(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1c([N+](=O)[O-])c(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(11-12(7)2)10(15)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyHGSXTABNNBXWPN-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.87
Rot. Bonds2

About (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone

(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 844675) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID844675
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1c([N+](=O)[O-])c(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(11-12(7)2)10(15)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyHGSXTABNNBXWPN-UHFFFAOYSA-N
XLogP0.87
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide
CID 2754492
(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
N-cyclohexyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 831737
N-cyclopentyl-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 1236011
3-tert-butyl-N,N-diethyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 918936
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
azepan-1-yl(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)methanone
CID 3804731
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872
(2,5-Dimethyl-4-nitropyrazol-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 844737
1-ethyl-4-nitro-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844748
3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 917480
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 844675) is (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone is Cc1c([N+](=O)[O-])c(C(=O)N2CCCC2)nn1C.
What is the InChIKey of (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is HGSXTABNNBXWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(11-12(7)2)10(15)13-5-3-4-6-13/h3-6H2,1-2H3.
What are the key properties of (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-4-nitropyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 844675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).