(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

C15H14N4O3 — CID 56794252

IUPAC(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O3/c1-9-13(19(21)22)12(17-16-9)14(20)18-8-15(6-7-15)10-4-2-3-5-11(10)18/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyNKYMEYIJXGXRIV-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.32
Rot. Bonds2

About (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (PubChem CID 56794252) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
PubChem CID56794252
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O3/c1-9-13(19(21)22)12(17-16-9)14(20)18-8-15(6-7-15)10-4-2-3-5-11(10)18/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyNKYMEYIJXGXRIV-UHFFFAOYSA-N
XLogP2.32
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Pyrazole-5-carboxamide, N-benzyl-3-methyl-4-nitro-
CID 149797
1H-Pyrazole-3-carboxamide, 5-methyl-N-((4-methylphenyl)methyl)-4-nitro-
CID 3061961
1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-(1-phenylethyl)-
CID 3070845
(5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone
CID 59004040
(5-fluoro-1-prop-2-enylspiro[2H-indol-1-ium-3,4'-piperidine]-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone
CID 87867194
(5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(5-nitro-1H-pyrazol-3-yl)methanone
CID 136034148
3-Methyl-5-(4-methylphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 3724140
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 47087177
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
CID 60307805
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 71993426
N-[1-(2-fluorophenyl)cyclopropyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 72008959
N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 72014667

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The IUPAC name of (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (CID 56794252) is (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.
What is the SMILES notation for (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The canonical SMILES for (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is Cc1[nH]nc(C(=O)N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-].
What is the InChIKey of (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The InChIKey is NKYMEYIJXGXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-13(19(21)22)12(17-16-9)14(20)18-8-15(6-7-15)10-4-2-3-5-11(10)18/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone has a molecular weight of 298.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is sourced from PubChem (CID 56794252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).